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

Systemtic Name: methyl 4-[(E)-2-[5,5-dimethyl-8-(3-methyl-3-oxidanyl-but-1-ynyl)-6H-naphthalen-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[8-(3-hydroxy-3-methyl-but-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoate CAS Name: 4-[(E)-2-[8-(3-hydroxy-3-methylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[8-(3-hydroxy-3-methylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[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=CC3=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/c1-26(2)16-14-21(15-17-27(3,4)29)23-18-20(10-13-24(23)26)7-6-19-8-11-22(12-9-19)25(28)30-5/h6-14,18,29H,16H2,1-5H3/b7-6+