2-[(E)-octadec-9-enoyl]sulfanyloxybenzoate

Systemtic Name: 2-[(E)-octadec-9-enoyl]sulfanyloxybenzoate Openeye Name: 2-[(E)-octadec-9-enoyl]sulfanyloxybenzoate CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]thio]oxybenzoate IUPAC Name: 2-[(E)-octadec-9-enoyl]sulfanyloxybenzoate Traditional Name: 2-[[(E)-octadec-9-enoyl]thio]oxybenzoate Formula: C25H37O4S- MolecularWeight: 433.62388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SOC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SOC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C25H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)30-29-23-20-18-17-19-22(23)25(27)28/h9-10,17-20H,2-8,11-16,21H2,1H3,(H,27,28)/p-1/b10-9+