Name: SULFORHODAMINE 101
SKU: 60311-02-6

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Basic Information

Molecular Structure:
CAS No.:	60311-02-6
Name:	SULFORHODAMINE 101
Article Data:	6

Formula:	C₃₁H₃₀N₂O₇S₂
Molecular Weight:	606.72
Synonyms:	1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, hydroxide, inner salt;LC6600;SR 101;Sulforhodamine 101;Sulforhodamine 640;
EINECS:	262-159-4
Density:	1.1982 (rough estimate)
Appearance:	green to dark green crystalline powder
Safety:	22-24/25
PSA:	143.81000
LogP:	4.59910

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Specification

The Sulforhodamine 101 with its cas register number is 60311-02-6. It also can be called as Hydrogen 9-(2,4-disulphonatophenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium and the Systematic name about this chemical is 4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzene-1,3-disulfonate. It belongs to the following product categories, such as S, Stains and Dyes, Stains&Dyes, A to and so on. When you are using it, please not breathe dust and avoid contact with skin and eyes.

Physical properties about Sulforhodamine 101 are: (1)#H bond acceptors: 9 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 140.98Å² ; (5)Rotatable Bond Count: 2; (6)Exact Mass: 606.149443; (7)MonoIsotopic Mass: 606.149443; (8)Topological Polar Surface Area: 144; (9)Heavy Atom Count: 42.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=C3C(=C4C(=C2)C(=C5C=C6CCC[N+]7=C6C(=C5O4)CCC7)C8=C(C=C(C=C8)S(=O)(=O)O)S(=O)(=O)[O-])CCCN3C1
(2)InChI: InChI=1S/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)
(3)InChIKey: COIVODZMVVUETJ-UHFFFAOYSA-N