3-azanyl-6-azanylidene-9-(2-carboxy-5-methoxycarbonyl-phenyl)xanthene-4,5-disulfonate

Systemtic Name: 3-azanyl-6-azanylidene-9-(2-carboxy-5-methoxycarbonyl-phenyl)xanthene-4,5-disulfonate Openeye Name: 3-amino-9-(2-carboxy-5-methoxycarbonyl-phenyl)-6-imino-xanthene-4,5-disulfonate CAS Name: 3-amino-9-(2-carboxy-5-methoxycarbonylphenyl)-6-iminoxanthene-4,5-disulfonate IUPAC Name: 3-amino-9-(2-carboxy-5-methoxycarbonylphenyl)-6-iminoxanthene-4,5-disulfonate Traditional Name: 3-amino-9-(5-carbomethoxy-2-carboxy-phenyl)-6-imino-xanthene-4,5-disulfonate Formula: C22H14N2O11S2-2 MolecularWeight: 546.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C22H16N2O11S2/c1-34-22(27)9-2-3-10(21(25)26)13(8-9)16-11-4-6-14(23)19(36(28,29)30)17(11)35-18-12(16)5-7-15(24)20(18)37(31,32)33/h2-8,23H,24H2,1H3,(H,25,26)(H,28,29,30)(H,31,32,33)/p-2