sodium 1-azanyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-[4-(p-tolylsulfonyloxy)anilino]anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[4-(4-methylphenyl)sulfonyloxyanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[4-(4-methylphenyl)sulfonyloxyanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(4-tosyloxyanilino)anthracene-2-sulfonate Formula: C27H19N2NaO8S2 MolecularWeight: 586.56813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H20N2O8S2.Na/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31;/h2-14,29H,28H2,1H3,(H,32,33,34);/q;+1/p-1