sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylidene-xanthen-9-yl)benzenesulfonate

Systemtic Name: sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylidene-xanthen-9-yl)benzenesulfonate Openeye Name: sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylene-xanthen-9-yl)benzenesulfonate CAS Name: sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylene-9-xanthenyl)benzenesulfonate IUPAC Name: sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylidenexanthen-9-yl)benzenesulfonate Traditional Name: sodium 3-sulfo-4-(2,3,7-trimethyl-6-methylene-xanthen-9-yl)besylate Formula: C23H19NaO7S2 MolecularWeight: 494.51253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=C)C)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=C)C)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C23H20O7S2.Na/c1-12-7-18-20(9-14(12)3)30-21-10-15(4)13(2)8-19(21)23(18)17-6-5-16(31(24,25)26)11-22(17)32(27,28)29;/h5-11H,3H2,1-2,4H3,(H,24,25,26)(H,27,28,29);/q;+1/p-1