sulfane; (E)-2-(1-sulfanylethyl)octadec-9-enoate

Systemtic Name: sulfane; (E)-2-(1-sulfanylethyl)octadec-9-enoate Openeye Name: hydrogen sulfide; (E)-2-(1-sulfanylethyl)octadec-9-enoate CAS Name: (E)-2-(1-mercaptoethyl)-9-octadecenoate; sulfane IUPAC Name: sulfane; (E)-2-(1-sulfanylethyl)octadec-9-enoate Traditional Name: hydrogen sulfide; (E)-2-(1-mercaptoethyl)octadec-9-enoate Formula: C20H39O2S2- MolecularWeight: 375.65246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C(C)S)C(=O)[O-].S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(C)S)C(=O)[O-].S

InChI

InChI=1S/C20H38O2S.H2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)23)20(21)22;/h10-11,18-19,23H,3-9,12-17H2,1-2H3,(H,21,22);1H2/p-1/b11-10+;