8-[(4-azanylcyclohexyl)amino]-1-oxidanyl-9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-2-sulfonic acid

Systemtic Name: 8-[(4-azanylcyclohexyl)amino]-1-oxidanyl-9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-2-sulfonic acid Openeye Name: 8-[(4-aminocyclohexyl)amino]-1-hydroxy-5-(isopropylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 8-[(4-aminocyclohexyl)amino]-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)-2-anthracenesulfonic acid IUPAC Name: 8-[(4-aminocyclohexyl)amino]-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonic acid Traditional Name: 8-[(4-aminocyclohexyl)amino]-1-hydroxy-5-(isopropylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NC3CCC(CC3)N)C(=O)C4=C(C2=O)C=CC(=C4O)S(=O)(=O)O

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NC3CCC(CC3)N)C(=O)C4=C(C2=O)C=CC(=C4O)S(=O)(=O)O

InChI

InChI=1S/C23H27N3O6S/c1-11(2)25-15-8-9-16(26-13-5-3-12(24)4-6-13)20-19(15)21(27)14-7-10-17(33(30,31)32)22(28)18(14)23(20)29/h7-13,25-26,28H,3-6,24H2,1-2H3,(H,30,31,32)