4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(3-hydroxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C27H22O3 MolecularWeight: 394.46178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)O)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)O)C

InChI

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