sodium 1-azanyl-4-[[3-(benzamidomethyl)-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[3-(benzamidomethyl)-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethyl-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethylanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethyl-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C31H26N3NaO6S MolecularWeight: 591.60941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1