5-azanyl-2-[[8-methoxy-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[[8-methoxy-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[[4-(isopropylamino)-8-methoxy-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 5-amino-2-[[8-methoxy-9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[[8-methoxy-9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 5-amino-2-[[4-(isopropylamino)-9,10-diketo-8-methoxy-1-anthryl]amino]besylic acid Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)N)S(=O)(=O)O)C(=O)C4=C(C2=O)C=CC=C4OC

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)N)S(=O)(=O)O)C(=O)C4=C(C2=O)C=CC=C4OC

InChI

InChI=1S/C24H23N3O6S/c1-12(2)26-16-9-10-17(27-15-8-7-13(25)11-19(15)34(30,31)32)22-21(16)23(28)14-5-4-6-18(33-3)20(14)24(22)29/h4-12,26-27H,25H2,1-3H3,(H,30,31,32)