phenylsulfanyl 4-heptylbenzoate

Systemtic Name: phenylsulfanyl 4-heptylbenzoate Openeye Name: phenylsulfanyl 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (phenylthio) ester Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

InChI

InChI=1S/C20H24O2S/c1-2-3-4-5-7-10-17-13-15-18(16-14-17)20(21)22-23-19-11-8-6-9-12-19/h6,8-9,11-16H,2-5,7,10H2,1H3