2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzenecarbothioic S-acid

Systemtic Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzenecarbothioic S-acid Openeye Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzenecarbothioic S-acid CAS Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzenecarbothioic S-acid IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzenecarbothioic S-acid Traditional Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]thiobenzoic acid Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=CC=CC=C1C(=O)S)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC1=CC=CC=C1C(=O)S)/C)C

InChI

InChI=1S/C17H22OS/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17(18)19/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,18,19)/b14-11+