(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acrylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S/c1-12(2)14-5-3-4-6-16(14)24-17-9-7-13(8-10-18(20)21)11-15(17)19(22)23/h3-12H,1-2H3,(H,20,21)/b10-8+