4-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(cyclohexylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 4-[[4-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-(cyclohexylamino)-9,10-diketo-1-anthryl]amino]besylic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C26H24N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h4-5,8-16,27-28H,1-3,6-7H2,(H,31,32,33)