sodium 4-[[4-azanyl-3-dodecoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 4-[[4-azanyl-3-dodecoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 4-[(4-amino-3-dodecoxy-9,10-dioxo-1-anthryl)amino]benzenesulfonate CAS Name: sodium 4-[(4-amino-3-dodecoxy-9,10-dioxo-1-anthracenyl)amino]benzenesulfonate IUPAC Name: sodium 4-[(4-amino-3-dodecoxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonate Traditional Name: sodium 4-[(4-amino-9,10-diketo-3-lauryloxy-1-anthryl)amino]besylate Formula: C32H37N2NaO6S MolecularWeight: 600.70075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C2=C(C(=C1)NC3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C2=O)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C2=C(C(=C1)NC3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C2=O)N.[Na+]

InChI

InChI=1S/C32H38N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-13-20-40-27-21-26(34-22-16-18-23(19-17-22)41(37,38)39)28-29(30(27)33)32(36)25-15-12-11-14-24(25)31(28)35;/h11-12,14-19,21,34H,2-10,13,20,33H2,1H3,(H,37,38,39);/q;+1/p-1