2-(dodecylsulfanylmethyl)prop-2-enoate; methane

Systemtic Name: 2-(dodecylsulfanylmethyl)prop-2-enoate; methane Openeye Name: 2-(dodecylsulfanylmethyl)prop-2-enoate; methane CAS Name: 2-[(dodecylthio)methyl]-2-propenoate; methane IUPAC Name: 2-(dodecylsulfanylmethyl)prop-2-enoate; methane Traditional Name: 2-[(laurylthio)methyl]acrylate; methane Formula: C65H120O8S4-4 MolecularWeight: 1157.9035

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-]

Isomeric SMILES

C.CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-].CCCCCCCCCCCCSCC(=C)C(=O)[O-]

InChI

InChI=1S/4C16H30O2S.CH4/c4*1-3-4-5-6-7-8-9-10-11-12-13-19-14-15(2)16(17)18;/h4*2-14H2,1H3,(H,17,18);1H4/p-4