[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H22O7S MolecularWeight: 418.46018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22O7S/c1-2-15-3-5-16(6-4-15)18(22)14-28-21(23)9-12-29(24,25)17-7-8-19-20(13-17)27-11-10-26-19/h3-8,13H,2,9-12,14H2,1H3