ethyl 4-[(E)-(2-oxidanylidene-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenyl-methyl]benzoate

Systemtic Name: ethyl 4-[(E)-(2-oxidanylidene-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenyl-methyl]benzoate Openeye Name: ethyl 4-[(E)-(2-oxo-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenyl-methyl]benzoate CAS Name: 4-[(E)-(2-oxo-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-(2-oxo-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenylmethyl]benzoate Traditional Name: 4-[(E)-(2-keto-3,3a,6,6a-tetrahydropentalen-1-ylidene)-phenyl-methyl]benzoic acid ethyl ester Formula: C24H22O3 MolecularWeight: 358.42968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=C2C3CC=CC3CC2=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C(=C/2\C3CC=CC3CC2=O)/C4=CC=CC=C4

InChI

InChI=1S/C24H22O3/c1-2-27-24(26)18-13-11-17(12-14-18)22(16-7-4-3-5-8-16)23-20-10-6-9-19(20)15-21(23)25/h3-9,11-14,19-20H,2,10,15H2,1H3/b23-22+