4-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butanoic acid

Systemtic Name: 4-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butanoic acid Openeye Name: 4-[3-[(E)-3-methoxy-3-oxo-prop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butanoic acid CAS Name: 4-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butanoic acid IUPAC Name: 4-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butanoic acid Traditional Name: 4-[3-[(E)-3-keto-3-methoxy-prop-1-enyl]-4-(6-methylsulfonyloxyhexyl)phenoxy]butyric acid Formula: C21H30O8S MolecularWeight: 442.5231

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=C1)OCCCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=C1)OCCCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C21H30O8S/c1-27-21(24)13-11-18-16-19(28-14-7-9-20(22)23)12-10-17(18)8-5-3-4-6-15-29-30(2,25)26/h10-13,16H,3-9,14-15H2,1-2H3,(H,22,23)/b13-11+