3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylpropanoyl-methyl-carbamic acid

Systemtic Name: 3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylpropanoyl-methyl-carbamic acid Openeye Name: 3-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanylpropanoyl-methyl-carbamic acid CAS Name: [3-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]-1-oxopropyl]-methylcarbamic acid IUPAC Name: 3-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylpropanoyl-methylcarbamic acid Traditional Name: 3-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]propanoyl-methyl-carbamic acid Formula: C22H41NO5S MolecularWeight: 431.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CO)O)SCCC(=O)N(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CO)O)SCCC(=O)N(C)C(=O)O

InChI

InChI=1S/C22H41NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(25)18-24)29-17-16-21(26)23(2)22(27)28/h14-15,19-20,24-25H,3-13,16-18H2,1-2H3,(H,27,28)/b15-14+