1-azanyl-4-[(4-azanyl-3-methyl-cyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-azanyl-3-methyl-cyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[(4-amino-3-methyl-cyclohexyl)amino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[(4-amino-3-methylcyclohexyl)amino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[(4-amino-3-methylcyclohexyl)amino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[(4-amino-3-methyl-cyclohexyl)amino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C21H23N3O5S/c1-10-8-11(6-7-14(10)22)24-15-9-16(30(27,28)29)19(23)18-17(15)20(25)12-4-2-3-5-13(12)21(18)26/h2-5,9-11,14,24H,6-8,22-23H2,1H3,(H,27,28,29)