sodium 4-[[9-(2-carboxyphenyl)-6-phenylazanyl-xanthen-3-ylidene]amino]benzenesulfonate

Systemtic Name: sodium 4-[[9-(2-carboxyphenyl)-6-phenylazanyl-xanthen-3-ylidene]amino]benzenesulfonate Openeye Name: sodium 4-[[6-anilino-9-(2-carboxyphenyl)xanthen-3-ylidene]amino]benzenesulfonate CAS Name: sodium 4-[[6-anilino-9-(2-carboxyphenyl)-3-xanthenylidene]amino]benzenesulfonate IUPAC Name: sodium 4-[[6-anilino-9-(2-carboxyphenyl)xanthen-3-ylidene]amino]benzenesulfonate Traditional Name: sodium 4-[[6-anilino-9-(2-carboxyphenyl)xanthen-3-ylidene]amino]besylate Formula: C32H21N2NaO6S MolecularWeight: 584.57371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)S(=O)(=O)[O-])C=C4O3)C6=CC=CC=C6C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)S(=O)(=O)[O-])C=C4O3)C6=CC=CC=C6C(=O)O.[Na+]

InChI

InChI=1S/C32H22N2O6S.Na/c35-32(36)26-9-5-4-8-25(26)31-27-16-12-22(33-20-6-2-1-3-7-20)18-29(27)40-30-19-23(13-17-28(30)31)34-21-10-14-24(15-11-21)41(37,38)39;/h1-19,33H,(H,35,36)(H,37,38,39);/q;+1/p-1