(Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoic acid

Systemtic Name: (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoic acid Openeye Name: (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoic acid CAS Name: (Z)-3-[oxo(1-sulfobutoxy)methyl]-2-hexadecenoic acid IUPAC Name: (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoic acid Traditional Name: (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoic acid Formula: C21H38O7S MolecularWeight: 434.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=CC(=O)O)C(=O)OC(CCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C(=C/C(=O)O)/C(=O)OC(CCC)S(=O)(=O)O

InChI

InChI=1S/C21H38O7S/c1-3-5-6-7-8-9-10-11-12-13-14-16-18(17-19(22)23)21(24)28-20(15-4-2)29(25,26)27/h17,20H,3-16H2,1-2H3,(H,22,23)(H,25,26,27)/b18-17-