2-octadecoxybenzenecarbothioic S-acid

Systemtic Name: 2-octadecoxybenzenecarbothioic S-acid Openeye Name: 2-octadecoxybenzenecarbothioic S-acid CAS Name: 2-octadecoxybenzenecarbothioic S-acid IUPAC Name: 2-octadecoxybenzenecarbothioic S-acid Traditional Name: 2-stearyloxythiobenzoic acid Formula: C25H42O2S MolecularWeight: 406.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)S

InChI

InChI=1S/C25H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24-21-18-17-20-23(24)25(26)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,28)