carbonic acid; 2-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylethanoic acid

Systemtic Name: carbonic acid; 2-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylethanoic acid Openeye Name: carbonic acid; 2-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylacetic acid CAS Name: carbonic acid; 2-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]acetic acid IUPAC Name: carbonic acid; 2-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylacetic acid Traditional Name: carbonic acid; 2-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]acetic acid Formula: C25H46O6S MolecularWeight: 474.69414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44O3S.CH2O3/c25-23-18-16-22(17-19-23)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-28-21-24(26)27;2-1(3)4/h11,13,22-23,25H,1-10,12,14-21H2,(H,26,27);(H2,2,3,4)/b13-11+;