6-[(E)-1-(1-oxidanylpropylsulfonyl)-3-phenyl-prop-2-enyl]oxan-2-one

Systemtic Name: 6-[(E)-1-(1-oxidanylpropylsulfonyl)-3-phenyl-prop-2-enyl]oxan-2-one Openeye Name: 6-[(E)-1-(1-hydroxypropylsulfonyl)-3-phenyl-allyl]tetrahydropyran-2-one CAS Name: 6-[(E)-1-(1-hydroxypropylsulfonyl)-3-phenylprop-2-enyl]-2-oxanone IUPAC Name: 6-[(E)-1-(1-hydroxypropylsulfonyl)-3-phenylprop-2-enyl]oxan-2-one Traditional Name: 6-[(E)-1-(1-hydroxypropylsulfonyl)-3-phenyl-allyl]tetrahydropyran-2-one Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)S(=O)(=O)C(C=CC1=CC=CC=C1)C2CCCC(=O)O2

Isomeric SMILES

CCC(O)S(=O)(=O)C(/C=C/C1=CC=CC=C1)C2CCCC(=O)O2

InChI

InChI=1S/C17H22O5S/c1-2-17(19)23(20,21)15(14-9-6-10-16(18)22-14)12-11-13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15,17,19H,2,6,9-10H2,1H3/b12-11+