8-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,6-disulfonic acid

Systemtic Name: 8-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,6-disulfonic acid Openeye Name: 8-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,6-disulfonic acid CAS Name: 8-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,6-disulfonic acid IUPAC Name: 8-[(4-amino-2-sulfobenzoyl)amino]naphthalene-1,6-disulfonic acid Traditional Name: 8-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,6-disulfonic acid Formula: C17H14N2O10S3 MolecularWeight: 502.49546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O10S3/c18-10-4-5-12(15(7-10)32(27,28)29)17(20)19-13-8-11(30(21,22)23)6-9-2-1-3-14(16(9)13)31(24,25)26/h1-8H,18H2,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)