(E)-2-(hexadecylsulfanylmethyl)-3-methyl-but-2-enedioic acid

Systemtic Name: (E)-2-(hexadecylsulfanylmethyl)-3-methyl-but-2-enedioic acid Openeye Name: (E)-2-(hexadecylsulfanylmethyl)-3-methyl-but-2-enedioic acid CAS Name: (E)-2-[(hexadecylthio)methyl]-3-methyl-2-butenedioic acid IUPAC Name: (E)-2-(hexadecylsulfanylmethyl)-3-methylbut-2-enedioic acid Traditional Name: (E)-2-[(cetylthio)methyl]-3-methyl-but-2-enedioic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(=C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC/C(=C(\C)/C(=O)O)/C(=O)O

InChI

InChI=1S/C22H40O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18-20(22(25)26)19(2)21(23)24/h3-18H2,1-2H3,(H,23,24)(H,25,26)/b20-19-