2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl 4-phenylbenzoate

Systemtic Name: 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl 4-phenylbenzoate Openeye Name: 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl ester IUPAC Name: 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC2(C1)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC2CCCC2(C1)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22O2/c22-20(23-21-14-4-8-19(21)9-5-15-21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2