2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate

Systemtic Name: 2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester Formula: C28H24O3 MolecularWeight: 408.48836

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H24O3/c1-28(2)17-15-24(21-10-12-23(30-3)13-11-21)25-19-20(9-14-26(25)28)16-18-31-27(29)22-7-5-4-6-8-22/h4-15,19H,17H2,1-3H3