1-azanyl-4-[(4-azanyl-2-methoxy-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,3-disulfonic acid

Systemtic Name: 1-azanyl-4-[(4-azanyl-2-methoxy-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,3-disulfonic acid Openeye Name: 1-amino-4-(4-amino-2-methoxy-anilino)-9,10-dioxo-anthracene-2,3-disulfonic acid CAS Name: 1-amino-4-(4-amino-2-methoxyanilino)-9,10-dioxoanthracene-2,3-disulfonic acid IUPAC Name: 1-amino-4-(4-amino-2-methoxyanilino)-9,10-dioxoanthracene-2,3-disulfonic acid Traditional Name: 1-amino-4-(4-amino-2-methoxy-anilino)-9,10-diketo-anthracene-2,3-disulfonic acid Formula: C21H17N3O9S2 MolecularWeight: 519.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)NC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N)NC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O9S2/c1-33-13-8-9(22)6-7-12(13)24-17-15-14(18(25)10-4-2-3-5-11(10)19(15)26)16(23)20(34(27,28)29)21(17)35(30,31)32/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)