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

Systemtic Name: (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoic acid Openeye Name: (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoic acid CAS Name: (Z)-3-[oxo(1-sulfobutoxy)methyl]-2-pentadecenoic acid IUPAC Name: (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoic acid Traditional Name: (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoic acid Formula: C20H36O7S MolecularWeight: 420.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O7S/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18(21)22)20(23)27-19(14-4-2)28(24,25)26/h16,19H,3-15H2,1-2H3,(H,21,22)(H,24,25,26)/b17-16-