6-methoxy-4-[(E)-5-(phenylsulfonyl)pent-4-enyl]-1,4-dihydroisochromen-3-one

Systemtic Name: 6-methoxy-4-[(E)-5-(phenylsulfonyl)pent-4-enyl]-1,4-dihydroisochromen-3-one Openeye Name: 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-isochroman-3-one CAS Name: 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-1,4-dihydroisochromen-3-one Traditional Name: 4-[(E)-5-besylpent-4-enyl]-6-methoxy-isochroman-3-one Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(COC(=O)C2CCCC=CS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

COC1=CC2=C(COC(=O)C2CCC/C=C/S(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H22O5S/c1-25-17-12-11-16-15-26-21(22)19(20(16)14-17)10-6-3-7-13-27(23,24)18-8-4-2-5-9-18/h2,4-5,7-9,11-14,19H,3,6,10,15H2,1H3/b13-7+