8-[(3-azanyl-4-methoxy-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(3-azanyl-4-methoxy-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(3-amino-4-methoxy-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(3-amino-4-methoxyphenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(3-amino-4-methoxybenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(3-amino-4-methoxy-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C18H16N2O11S3 MolecularWeight: 532.52144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C18H16N2O11S3/c1-31-14-4-2-9(6-12(14)19)18(21)20-13-3-5-15(33(25,26)27)11-7-10(32(22,23)24)8-16(17(11)13)34(28,29)30/h2-8H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)