methyl 4-[1-[5,5-dimethyl-8-(3-methyl-3-oxidanyl-but-1-ynyl)-6H-naphthalen-2-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[1-[5,5-dimethyl-8-(3-methyl-3-oxidanyl-but-1-ynyl)-6H-naphthalen-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[1-[8-(3-hydroxy-3-methyl-but-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoate CAS Name: 4-[1-[8-(3-hydroxy-3-methylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[8-(3-hydroxy-3-methylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate Traditional Name: 4-[1-[8-(3-hydroxy-3-methyl-but-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid methyl ester Formula: C27H28O3 MolecularWeight: 400.50942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O3/c1-18(19-7-9-21(10-8-19)25(28)30-6)22-11-12-24-23(17-22)20(13-15-26(24,2)3)14-16-27(4,5)29/h7-13,17,29H,1,15H2,2-6H3