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

Systemtic Name: ethane; 2-[(E)-2-(3-sulfanylphenyl)ethenyl]benzoic acid Openeye Name: ethane; 2-[(E)-2-(3-sulfanylphenyl)vinyl]benzoic acid CAS Name: ethane; 2-[(E)-2-(3-mercaptophenyl)ethenyl]benzoic acid IUPAC Name: ethane; 2-[(E)-2-(3-sulfanylphenyl)ethenyl]benzoic acid Traditional Name: ethane; 2-[(E)-2-(3-mercaptophenyl)vinyl]benzoic acid Formula: C17H18O2S MolecularWeight: 286.38862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O2S.C2H6/c16-15(17)14-7-2-1-5-12(14)9-8-11-4-3-6-13(18)10-11;1-2/h1-10,18H,(H,16,17);1-2H3/b9-8+;