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

Systemtic Name: ethyl 4-[2-[8-(4-chlorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[8-(4-chlorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[8-(4-chlorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8-(4-chlorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[8-(4-chlorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C29H25ClO2 MolecularWeight: 440.9606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)Cl)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)Cl)(C)C

InChI

InChI=1S/C29H25ClO2/c1-4-32-28(31)23-10-7-20(8-11-23)5-6-21-9-16-27-26(19-21)25(17-18-29(27,2)3)22-12-14-24(30)15-13-22/h7-17,19H,4,18H2,1-3H3