4-(3-methoxyphenyl)sulfanyl-2-methyl-3-nitro-benzoic acid

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-2-methyl-3-nitro-benzoic acid Openeye Name: 4-(3-methoxyphenyl)sulfanyl-2-methyl-3-nitro-benzoic acid CAS Name: 4-[(3-methoxyphenyl)thio]-2-methyl-3-nitrobenzoic acid IUPAC Name: 4-(3-methoxyphenyl)sulfanyl-2-methyl-3-nitrobenzoic acid Traditional Name: 4-[(3-methoxyphenyl)thio]-2-methyl-3-nitro-benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO5S/c1-9-12(15(17)18)6-7-13(14(9)16(19)20)22-11-5-3-4-10(8-11)21-2/h3-8H,1-2H3,(H,17,18)