2-(2-azanyl-5-oxidanylidene-7-sulfo-1H-quinolin-6-yl)-5-methoxy-benzene-1,4-disulfonic acid

Systemtic Name: 2-(2-azanyl-5-oxidanylidene-7-sulfo-1H-quinolin-6-yl)-5-methoxy-benzene-1,4-disulfonic acid Openeye Name: 2-(2-amino-5-oxo-7-sulfo-1H-quinolin-6-yl)-5-methoxy-benzene-1,4-disulfonic acid CAS Name: 2-(2-amino-5-oxo-7-sulfo-1H-quinolin-6-yl)-5-methoxybenzene-1,4-disulfonic acid IUPAC Name: 2-(2-amino-5-oxo-7-sulfo-1H-quinolin-6-yl)-5-methoxybenzene-1,4-disulfonic acid Traditional Name: 2-(2-amino-5-keto-7-sulfo-1H-quinolin-6-yl)-5-methoxy-benzene-1,4-disulfonic acid Formula: C16H14N2O11S3 MolecularWeight: 506.48416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)S(=O)(=O)O)C2=C(C=C3C(=CC=C(N3)N)C2=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)S(=O)(=O)O)C2=C(C=C3C(=CC=C(N3)N)C2=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O11S3/c1-29-10-6-11(30(20,21)22)8(4-12(10)31(23,24)25)15-13(32(26,27)28)5-9-7(16(15)19)2-3-14(17)18-9/h2-6,18H,17H2,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)