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

Systemtic Name: 8-[[4-(methoxymethyl)-3-nitro-phenyl]carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Openeye Name: 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid CAS Name: 8-[[[4-(methoxymethyl)-3-nitrophenyl]-oxomethyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid IUPAC Name: 8-[[4-(methoxymethyl)-3-nitrobenzoyl]amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Traditional Name: 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic 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)SOOO)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)SOOO)S(=O)(=O)O)[N+](=O)[O-]

InChI

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