methyl 2-ethanoyl-5-hexylsulfanyl-3-phenyl-benzoate

Systemtic Name: methyl 2-ethanoyl-5-hexylsulfanyl-3-phenyl-benzoate Openeye Name: methyl 2-acetyl-5-hexylsulfanyl-3-phenyl-benzoate CAS Name: 2-acetyl-5-(hexylthio)-3-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-acetyl-5-hexylsulfanyl-3-phenylbenzoate Traditional Name: 2-acetyl-5-(hexylthio)-3-phenyl-benzoic acid methyl ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)C)C(=O)OC

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)C)C(=O)OC

InChI

InChI=1S/C22H26O3S/c1-4-5-6-10-13-26-18-14-19(17-11-8-7-9-12-17)21(16(2)23)20(15-18)22(24)25-3/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3