O3-ethyl O1,O1-dipropan-2-yl 1-[(4-methylphenyl)methyl]-3-prop-2-enylsulfonyl-propane-1,1,3-tricarboxylate

Systemtic Name: O3-ethyl O1,O1-dipropan-2-yl 1-[(4-methylphenyl)methyl]-3-prop-2-enylsulfonyl-propane-1,1,3-tricarboxylate Openeye Name: O3-ethyl O1,O1-diisopropyl 3-allylsulfonyl-1-(p-tolylmethyl)propane-1,1,3-tricarboxylate CAS Name: 1-[(4-methylphenyl)methyl]-3-prop-2-enylsulfonylpropane-1,1,3-tricarboxylic acid O3-ethyl ester O1,O1-dipropan-2-yl ester IUPAC Name: 3-O-ethyl 1-O,1-O-dipropan-2-yl 1-[(4-methylphenyl)methyl]-3-prop-2-enylsulfonylpropane-1,1,3-tricarboxylate Traditional Name: 3-allylsulfonyl-1-(4-methylbenzyl)propane-1,1,3-tricarboxylic acid O3-ethyl ester O1,O1-diisopropyl ester Formula: C25H36O8S MolecularWeight: 496.61354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CC=C(C=C1)C)(C(=O)OC(C)C)C(=O)OC(C)C)S(=O)(=O)CC=C

Isomeric SMILES

CCOC(=O)C(CC(CC1=CC=C(C=C1)C)(C(=O)OC(C)C)C(=O)OC(C)C)S(=O)(=O)CC=C

InChI

InChI=1S/C25H36O8S/c1-8-14-34(29,30)21(22(26)31-9-2)16-25(23(27)32-17(3)4,24(28)33-18(5)6)15-20-12-10-19(7)11-13-20/h8,10-13,17-18,21H,1,9,14-16H2,2-7H3