2-(3-methoxyphenyl)sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-(3-methoxyphenyl)sulfanyl-5-nitro-benzoic acid Openeye Name: 2-(3-methoxyphenyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(3-methoxyphenyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(3-methoxyphenyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(3-methoxyphenyl)thio]-5-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11NO5S/c1-20-10-3-2-4-11(8-10)21-13-6-5-9(15(18)19)7-12(13)14(16)17/h2-8H,1H3,(H,16,17)