3-(4-methylphenyl)sulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-(4-methylphenyl)sulfanyl-5-nitro-phthalic acid Openeye Name: 5-nitro-3-(p-tolylsulfanyl)phthalic acid CAS Name: 3-[(4-methylphenyl)thio]-5-nitrophthalic acid IUPAC Name: 3-(4-methylphenyl)sulfanyl-5-nitrophthalic acid Traditional Name: 5-nitro-3-(p-tolylthio)phthalic acid Formula: C15H11NO6S MolecularWeight: 333.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C15H11NO6S/c1-8-2-4-10(5-3-8)23-12-7-9(16(21)22)6-11(14(17)18)13(12)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)