4-oxidanylidene-3-sulfooxy-4-[(E)-tetradec-1-enoxy]butanoic acid

Systemtic Name: 4-oxidanylidene-3-sulfooxy-4-[(E)-tetradec-1-enoxy]butanoic acid Openeye Name: 4-oxo-3-sulfooxy-4-[(E)-tetradec-1-enoxy]butanoic acid CAS Name: 4-oxo-3-sulfooxy-4-[(E)-tetradec-1-enoxy]butanoic acid IUPAC Name: 4-oxo-3-sulfooxy-4-[(E)-tetradec-1-enoxy]butanoic acid Traditional Name: 4-keto-3-sulfoxy-4-[(E)-tetradec-1-enoxy]butyric acid Formula: C18H32O8S MolecularWeight: 408.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=COC(=O)C(CC(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/OC(=O)C(CC(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C18H32O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-18(21)16(15-17(19)20)26-27(22,23)24/h13-14,16H,2-12,15H2,1H3,(H,19,20)(H,22,23,24)/b14-13+