phenylsulfanyl 4-hexylbenzoate

Systemtic Name: phenylsulfanyl 4-hexylbenzoate Openeye Name: phenylsulfanyl 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (phenylthio) ester Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

InChI

InChI=1S/C19H22O2S/c1-2-3-4-6-9-16-12-14-17(15-13-16)19(20)21-22-18-10-7-5-8-11-18/h5,7-8,10-15H,2-4,6,9H2,1H3