dimethyl 6-butyl-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl 6-butyl-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl 6-butyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: 6-butyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-butyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: 6-butyl-5-keto-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C16H22O5 MolecularWeight: 294.34288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC(CC2CC1=O)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C2CC(CC2CC1=O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H22O5/c1-4-5-6-11-12-9-16(14(18)20-2,15(19)21-3)8-10(12)7-13(11)17/h10H,4-9H2,1-3H3