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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+]

InChI

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