1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl 4-phenylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC2C1)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC2CC(CC2C1)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

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