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

Systemtic Name: sodium 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxo-1-anthryl]amino]benzenesulfonate CAS Name: sodium 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate IUPAC Name: sodium 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate Traditional Name: sodium 2-[[4-(cyclohexylamino)-5-ethoxy-9,10-diketo-1-anthryl]amino]besylate Formula: C28H27N2NaO6S MolecularWeight: 542.57855

Click to see the large picture

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.[Na+]

Isomeric SMILES

CCOC1=CC=CC2=C1C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC=C4S(=O)(=O)[O-])NC5CCCCC5.[Na+]

InChI

InChI=1S/C28H28N2O6S.Na/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);/q;+1/p-1