8-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(4-amino-2-sulfobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C17H14N2O13S4 MolecularWeight: 582.55866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O13S4/c18-8-1-2-10(14(5-8)35(27,28)29)17(20)19-12-3-4-13(34(24,25)26)11-6-9(33(21,22)23)7-15(16(11)12)36(30,31)32/h1-7H,18H2,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)