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

Systemtic Name: sodium 2-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methoxy-benzenesulfonate Openeye Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxo-1-anthryl]amino]-5-methoxy-benzenesulfonate CAS Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methoxybenzenesulfonate IUPAC Name: sodium 2-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]-5-methoxybenzenesulfonate Traditional Name: sodium 2-[[4-(cyclohexylamino)-9,10-diketo-1-anthryl]amino]-5-methoxy-besylate Formula: C27H25N2NaO6S MolecularWeight: 528.55197

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N2O6S.Na/c1-35-17-11-12-20(23(15-17)36(32,33)34)29-22-14-13-21(28-16-7-3-2-4-8-16)24-25(22)27(31)19-10-6-5-9-18(19)26(24)30;/h5-6,9-16,28-29H,2-4,7-8H2,1H3,(H,32,33,34);/q;+1/p-1