dimethyl 2,2-bis[3-(phenylsulfonyl)penta-3,4-dienyl]propanedioate

Systemtic Name: dimethyl 2,2-bis[3-(phenylsulfonyl)penta-3,4-dienyl]propanedioate Openeye Name: dimethyl 2,2-bis[3-(benzenesulfonyl)penta-3,4-dienyl]propanedioate CAS Name: 2,2-bis[3-(benzenesulfonyl)penta-3,4-dienyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2,2-bis[3-(benzenesulfonyl)penta-3,4-dienyl]propanedioate Traditional Name: 2,2-bis(3-besylpenta-3,4-dienyl)malonic acid dimethyl ester Formula: C27H28O8S2 MolecularWeight: 544.63642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=C=C)S(=O)(=O)C1=CC=CC=C1)(CCC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC(=C=C)S(=O)(=O)C1=CC=CC=C1)(CCC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C27H28O8S2/c1-5-21(36(30,31)23-13-9-7-10-14-23)17-19-27(25(28)34-3,26(29)35-4)20-18-22(6-2)37(32,33)24-15-11-8-12-16-24/h7-16H,1-2,17-20H2,3-4H3