2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate

Systemtic Name: 2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester Formula: C27H22O3 MolecularWeight: 394.46178

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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(=CC=C4)O)C

Isomeric SMILES

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

InChI

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