phenylsulfanyl 4-heptoxybenzoate

Systemtic Name: phenylsulfanyl 4-heptoxybenzoate Openeye Name: phenylsulfanyl 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (phenylthio) ester Formula: C20H24O3S MolecularWeight: 344.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2

InChI

InChI=1S/C20H24O3S/c1-2-3-4-5-9-16-22-18-14-12-17(13-15-18)20(21)23-24-19-10-7-6-8-11-19/h6-8,10-15H,2-5,9,16H2,1H3