8-[(2,4,6-trimethyl-3-nitro-phenyl)carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid

Systemtic Name: 8-[(2,4,6-trimethyl-3-nitro-phenyl)carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Openeye Name: 8-[(2,4,6-trimethyl-3-nitro-benzoyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid CAS Name: 8-[[oxo-(2,4,6-trimethyl-3-nitrophenyl)methyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid IUPAC Name: 8-[(2,4,6-trimethyl-3-nitrobenzoyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Traditional Name: 8-[(2,4,6-trimethyl-3-nitro-benzoyl)amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid Formula: C20H18N2O12S3 MolecularWeight: 574.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O12S3/c1-9-6-10(2)19(22(24)25)11(3)17(9)20(23)21-14-4-5-15(36(27,28)29)13-7-12(35-34-33-26)8-16(18(13)14)37(30,31)32/h4-8,26H,1-3H3,(H,21,23)(H,27,28,29)(H,30,31,32)