4-(cyclohexylamino)-9,10-bis(oxidanylidene)-1-[(3-sulfophenyl)diazenyl]anthracene-2-sulfonic acid

Systemtic Name: 4-(cyclohexylamino)-9,10-bis(oxidanylidene)-1-[(3-sulfophenyl)diazenyl]anthracene-2-sulfonic acid Openeye Name: 4-(cyclohexylamino)-9,10-dioxo-1-(3-sulfophenyl)azo-anthracene-2-sulfonic acid CAS Name: 4-(cyclohexylamino)-9,10-dioxo-1-(3-sulfophenyl)azo-2-anthracenesulfonic acid IUPAC Name: 4-(cyclohexylamino)-9,10-dioxo-1-[(3-sulfophenyl)diazenyl]anthracene-2-sulfonic acid Traditional Name: 4-(cyclohexylamino)-9,10-diketo-1-(3-sulfophenyl)azo-anthracene-2-sulfonic acid Formula: C26H23N3O8S2 MolecularWeight: 569.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N=NC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N=NC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H23N3O8S2/c30-25-18-11-4-5-12-19(18)26(31)23-22(25)20(27-15-7-2-1-3-8-15)14-21(39(35,36)37)24(23)29-28-16-9-6-10-17(13-16)38(32,33)34/h4-6,9-15,27H,1-3,7-8H2,(H,32,33,34)(H,35,36,37)