CAS
30604-81-0 Purity
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30604-81-0 Purity
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Specification
PubChem CID: 3522585
Molecular Formula: C16H32O2S
Molecular Weight: 288.5 g/mol
IUPAC Name: 16-sulfanylhexadecanoic acid
InChI: InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
Canonical SMILES: C(CCCCCCCC(=O)O)CCCCCCCS
CAS number: 69839-68-5
EC number: 628-111-5
Yes, it is a canonicalized compound.