carbonic acid; 3-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid

Systemtic Name: carbonic acid; 3-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid Openeye Name: carbonic acid; 3-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid CAS Name: carbonic acid; 3-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]propanoic acid IUPAC Name: carbonic acid; 3-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid Traditional Name: carbonic acid; 3-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]propionic acid Formula: C26H48O6S MolecularWeight: 488.72072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC=CCCCCCCCCCCCCCSCCC(=O)O)O.C(=O)(O)O

Isomeric SMILES

C1CC(CCC1C/C=C/CCCCCCCCCCCCCSCCC(=O)O)O.C(=O)(O)O

InChI

InChI=1S/C25H46O3S.CH2O3/c26-24-18-16-23(17-19-24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-29-22-20-25(27)28;2-1(3)4/h11,13,23-24,26H,1-10,12,14-22H2,(H,27,28);(H2,2,3,4)/b13-11+;