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(5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl benzoate

(5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl benzoate

Systemtic Name:(5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl benzoate
Openeye Name:(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl benzoate
CAS Name:benzoic acid (5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl ester
IUPAC Name:(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl benzoate
Traditional Name:benzoic acid (5-keto-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl)methyl ester
Formula: C16H18O3
MolecularWeight: 258.31232
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C1CC(=O)C2)COC(=O)C3=CC=CC=C3


Isomeric SMILES

C1CC(C2C1CC(=O)C2)COC(=O)C3=CC=CC=C3


InChI

InChI=1S/C16H18O3/c17-14-8-12-6-7-13(15(12)9-14)10-19-16(18)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2


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