1-azanyl-4-[[4-methoxy-3-(methylaminomethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid

Systemtic Name: 1-azanyl-4-[[4-methoxy-3-(methylaminomethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid Openeye Name: 1-amino-4-[4-methoxy-3-(methylaminomethyl)anilino]-9,10-dioxo-anthracene-2,7-disulfonic acid CAS Name: 1-amino-4-[4-methoxy-3-(methylaminomethyl)anilino]-9,10-dioxoanthracene-2,7-disulfonic acid IUPAC Name: 1-amino-4-[4-methoxy-3-(methylaminomethyl)anilino]-9,10-dioxoanthracene-2,7-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-methoxy-3-(methylaminomethyl)anilino]anthracene-2,7-disulfonic acid Formula: C23H21N3O9S2 MolecularWeight: 547.55754

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)OC

Isomeric SMILES

CNCC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)OC

InChI

InChI=1S/C23H21N3O9S2/c1-25-10-11-7-12(3-6-17(11)35-2)26-16-9-18(37(32,33)34)21(24)20-19(16)22(27)14-5-4-13(36(29,30)31)8-15(14)23(20)28/h3-9,25-26H,10,24H2,1-2H3,(H,29,30,31)(H,32,33,34)