sodium 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoate

Systemtic Name: sodium 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoate Openeye Name: sodium 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoate CAS Name: sodium 4-(ethylthio)-2-[[(E)-1-oxooctadec-9-enyl]amino]butanoate IUPAC Name: sodium 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoate Traditional Name: sodium 4-(ethylthio)-2-[[(E)-octadec-9-enoyl]amino]butyrate Formula: C24H44NNaO3S MolecularWeight: 449.66583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCSCC)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CCSCC)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H45NO3S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21-29-4-2;/h11-12,22H,3-10,13-21H2,1-2H3,(H,25,26)(H,27,28);/q;+1/p-1/b12-11+;