2-(8,8-dimethyl-5-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl benzoate

Systemtic Name: 2-(8,8-dimethyl-5-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl benzoate Openeye Name: 2-[1-(1-ethylpropylidene)-4,4-dimethyl-tetralin-6-yl]ethynyl benzoate CAS Name: benzoic acid 2-(8,8-dimethyl-5-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl ester IUPAC Name: 2-(8,8-dimethyl-5-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl benzoate Traditional Name: benzoic acid 2-[1-(1-ethylpropylidene)-4,4-dimethyl-tetralin-6-yl]ethynyl ester Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1CCC(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)(C)C)CC

Isomeric SMILES

CCC(=C1CCC(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)(C)C)CC

InChI

InChI=1S/C26H28O2/c1-5-20(6-2)22-14-16-26(3,4)24-18-19(12-13-23(22)24)15-17-28-25(27)21-10-8-7-9-11-21/h7-13,18H,5-6,14,16H2,1-4H3