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

Systemtic Name: 2-[8-(4-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[8-(4-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[8-(4-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[8-(4-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[8-(4-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester Formula: C27H22O3 MolecularWeight: 394.46178

Click to see the large picture

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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22O3/c1-27(2)16-14-23(20-9-11-22(28)12-10-20)24-18-19(8-13-25(24)27)15-17-30-26(29)21-6-4-3-5-7-21/h3-14,18,28H,16H2,1-2H3