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2-[7-(1,3-Dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-3H-indolium inner salt sodium salt monohydrate
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Name

2-[7-(1,3-Dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-3H-indolium inner salt sodium salt monohydrate

 EINECS N/A
CAS No. 135408-43-4 Density N/A
PSA 146.64000 LogP 6.60200
Solubility N/A Melting Point N/A
Formula C29H31N2NaO6S2.H2O Boiling Point N/A
Molecular Weight 608.7 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 135408-43-4 (3H-INDOLIUM, 2-[7-(1,3-DIHYDRO-1,3,3-TRIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-1,3,3-TRIMETHYL-5-SULFO-, INNER SALT, SODIUM SALT, MONOHYDRATE) Hazard Symbols N/A
Synonyms

sodium 1,3,3-trimethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-indolium-5-sulfonate hydrate;

 

2-[7-(1,3-Dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-3H-indolium inner salt sodium salt monohydrate Specification

The 2-[7-(1,3-Dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-3H-indolium inner salt sodium salt monohydrate, with the CAS number 135408-43-4, is also called 3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt, monohydrate (9CI). The systematic name is sodium 1,3,3-trimethyl-2-[(1E,3E,5E,7E)-7-(1,3,3-trimethyl-5-sulfonato-indolin-2-ylidene)hepta-1,3,5-trienyl]indol-1-ium-5-sulfonate hydrate. Its molecular formula is C29H31N2NaO6S2.H2O.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(c2cc(ccc2[N+](=C1C=CC=CC=CC=C3C(c4cc(ccc4N3C)S(=O)(=O)[O-])(C)C)C)S(=O)(=O)[O-])C.O.[Na+]
(2)InChI: InChI=1/C29H32N2O6S2.Na.H2O/c1-28(2)22-18-20(38(32,33)34)14-16-24(22)30(5)26(28)12-10-8-7-9-11-13-27-29(3,4)23-19-21(39(35,36)37)15-17-25(23)31(27)6;;/h7-19H,1-6H3,(H-,32,33,34,35,36,37);;1H2/q;+1;/p-1
(3)InChIKey: QTBXQBZTDGWASR-REWHXWOFAN

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