2-tert-butyl-5-[[4-[(4-tert-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-tert-butyl-5-[[4-[(4-tert-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-tert-butyl-5-[[4-(4-tert-butylanilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 2-tert-butyl-5-[[4-(4-tert-butylanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 2-tert-butyl-5-[[4-(4-tert-butylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 2-tert-butyl-5-[[4-(4-tert-butylanilino)-9,10-diketo-1-anthryl]amino]besylic acid Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC(=C(C=C4)C(C)(C)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC(=C(C=C4)C(C)(C)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C34H34N2O5S/c1-33(2,3)20-11-13-21(14-12-20)35-26-17-18-27(30-29(26)31(37)23-9-7-8-10-24(23)32(30)38)36-22-15-16-25(34(4,5)6)28(19-22)42(39,40)41/h7-19,35-36H,1-6H3,(H,39,40,41)