2-[(4-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]benzoic acid Openeye Name: 2-[(4-thioxocyclohexa-1,5-dien-1-yl)methyl]benzoic acid CAS Name: 2-[(4-sulfanylidene-1-cyclohexa-1,5-dienyl)methyl]benzoic acid IUPAC Name: 2-[(4-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]benzoic acid Traditional Name: 2-[(4-thioxocyclohexa-1,5-dien-1-yl)methyl]benzoic acid Formula: C14H12O2S MolecularWeight: 244.30888

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=S)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1C=C(C=CC1=S)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12O2S/c15-14(16)13-4-2-1-3-11(13)9-10-5-7-12(17)8-6-10/h1-7H,8-9H2,(H,15,16)