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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N

Isomeric SMILES

CC1C(CCCC1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N

InChI

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