dimethyl 2-[4-(phenylsulfonyl)hexa-4,5-dienyl]propanedioate

Systemtic Name: dimethyl 2-[4-(phenylsulfonyl)hexa-4,5-dienyl]propanedioate Openeye Name: dimethyl 2-[4-(benzenesulfonyl)hexa-4,5-dienyl]propanedioate CAS Name: 2-[4-(benzenesulfonyl)hexa-4,5-dienyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(benzenesulfonyl)hexa-4,5-dienyl]propanedioate Traditional Name: 2-(4-besylhexa-4,5-dienyl)malonic acid dimethyl ester Formula: C17H20O6S MolecularWeight: 352.4021

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CCCC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H20O6S/c1-4-13(24(20,21)14-9-6-5-7-10-14)11-8-12-15(16(18)22-2)17(19)23-3/h5-7,9-10,15H,1,8,11-12H2,2-3H3