(E)-but-2-enedioic acid; dodecane-1-thiol

Systemtic Name: (E)-but-2-enedioic acid; dodecane-1-thiol Openeye Name: dodecane-1-thiol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-dodecanethiol IUPAC Name: (E)-but-2-enedioic acid; dodecane-1-thiol Traditional Name: dodecane-1-thiol; fumaric acid Formula: C16H30O4S MolecularWeight: 318.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCS.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H26S.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13;5-3(6)1-2-4(7)8/h13H,2-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+