4-[(4-nitro-2-sulfo-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(4-nitro-2-sulfo-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,7-disulfonic acid Formula: C17H12N2O13S3 MolecularWeight: 548.47778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C17H12N2O13S3/c20-13-7-9(33(24,25)26)6-11-14(34(27,28)29)4-3-12(16(11)13)18-17(21)10-2-1-8(19(22)23)5-15(10)35(30,31)32/h1-7,20H,(H,18,21)(H,24,25,26)(H,27,28,29)(H,30,31,32)