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

Systemtic Name: 8-[[4-(methoxymethyl)-3-nitro-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-(methoxymethyl)-3-nitrophenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-(methoxymethyl)-3-nitrobenzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C19H16N2O13S3 MolecularWeight: 576.53094

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=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+](=O)[O-]

Isomeric SMILES

COCC1=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+](=O)[O-]

InChI

InChI=1S/C19H16N2O13S3/c1-34-9-11-3-2-10(6-15(11)21(23)24)19(22)20-14-4-5-16(36(28,29)30)13-7-12(35(25,26)27)8-17(18(13)14)37(31,32)33/h2-8H,9H2,1H3,(H,20,22)(H,25,26,27)(H,28,29,30)(H,31,32,33)