2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanyl-phenyl]ethanoic acid Openeye Name: 2-[2-(4-isopropylphenyl)sulfanyl-5-nitro-phenyl]acetic acid CAS Name: 2-[5-nitro-2-[(4-propan-2-ylphenyl)thio]phenyl]acetic acid IUPAC Name: 2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid Traditional Name: 2-[5-nitro-2-(p-cumenylthio)phenyl]acetic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-11(2)12-3-6-15(7-4-12)23-16-8-5-14(18(21)22)9-13(16)10-17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)