methane; 2-[(E)-2-(3-sulfanylphenyl)ethenyl]benzoic acid

Systemtic Name: methane; 2-[(E)-2-(3-sulfanylphenyl)ethenyl]benzoic acid Openeye Name: methane; 2-[(E)-2-(3-sulfanylphenyl)vinyl]benzoic acid CAS Name: 2-[(E)-2-(3-mercaptophenyl)ethenyl]benzoic acid; methane IUPAC Name: methane; 2-[(E)-2-(3-sulfanylphenyl)ethenyl]benzoic acid Traditional Name: 2-[(E)-2-(3-mercaptophenyl)vinyl]benzoic acid; methane Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C(=C1)C=CC2=CC(=CC=C2)S)C(=O)O

Isomeric SMILES

C.C1=CC=C(C(=C1)/C=C/C2=CC(=CC=C2)S)C(=O)O

InChI

InChI=1S/C15H12O2S.CH4/c16-15(17)14-7-2-1-5-12(14)9-8-11-4-3-6-13(18)10-11;/h1-10,18H,(H,16,17);1H4/b9-8+;