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

Systemtic Name: sodium 2-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]diazenyl]-5-methoxy-benzenesulfonate Openeye Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxo-1-anthryl]azo]-5-methoxy-benzenesulfonate CAS Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]azo]-5-methoxybenzenesulfonate IUPAC Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]diazenyl]-5-methoxybenzenesulfonate Traditional Name: sodium 2-[[4-(cyclohexylamino)-9,10-diketo-1-anthryl]azo]-5-methoxy-besylate Formula: C27H24N3NaO6S MolecularWeight: 541.55073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N=NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)N=NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H25N3O6S.Na/c1-36-17-11-12-20(23(15-17)37(33,34)35)29-30-22-14-13-21(28-16-7-3-2-4-8-16)24-25(22)27(32)19-10-6-5-9-18(19)26(24)31;/h5-6,9-16,28H,2-4,7-8H2,1H3,(H,33,34,35);/q;+1/p-1