2-[[4-(cyclohexylamino)-5-ethoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-diketo-1-anthryl]amino]besylic acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC=C4S(=O)(=O)O)NC5CCCCC5

Isomeric SMILES

CCOC1=CC=CC2=C1C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC=C4S(=O)(=O)O)NC5CCCCC5

InChI

InChI=1S/C28H28N2O6S/c1-2-36-22-13-8-11-18-24(22)28(32)26-20(29-17-9-4-3-5-10-17)15-16-21(25(26)27(18)31)30-19-12-6-7-14-23(19)37(33,34)35/h6-8,11-17,29-30H,2-5,9-10H2,1H3,(H,33,34,35)