dimethyl 2-[(2S,5R)-2,5-diacetyloxycyclohept-3-en-1-yl]-2-(3-methylbuta-1,2-dienyl)propanedioate

Systemtic Name: dimethyl 2-[(2S,5R)-2,5-diacetyloxycyclohept-3-en-1-yl]-2-(3-methylbuta-1,2-dienyl)propanedioate Openeye Name: dimethyl 2-[(2S,5R)-2,5-diacetoxycyclohept-3-en-1-yl]-2-(3-methylbuta-1,2-dienyl)propanedioate CAS Name: 2-[(2S,5R)-2,5-diacetyloxy-1-cyclohept-3-enyl]-2-(3-methylbuta-1,2-dienyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,5R)-2,5-diacetyloxycyclohept-3-en-1-yl]-2-(3-methylbuta-1,2-dienyl)propanedioate Traditional Name: 2-[(2S,5R)-2,5-diacetoxycyclohept-3-en-1-yl]-2-(3-methylbuta-1,2-dienyl)malonic acid dimethyl ester Formula: C21H28O8 MolecularWeight: 408.44222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=CC(C1CCC(C=CC1OC(=O)C)OC(=O)C)(C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC(=C=CC(C1CC[C@H](C=C[C@@H]1OC(=O)C)OC(=O)C)(C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C21H28O8/c1-13(2)11-12-21(19(24)26-5,20(25)27-6)17-9-7-16(28-14(3)22)8-10-18(17)29-15(4)23/h8,10,12,16-18H,7,9H2,1-6H3/t16-,17?,18+/m1/s1