methyl 4-[(E)-4-(6,6-dimethyl-4-phenyl-cyclohexa-1,3-dien-1-yl)-1-naphthalen-2-yl-but-1-en-3-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-(6,6-dimethyl-4-phenyl-cyclohexa-1,3-dien-1-yl)-1-naphthalen-2-yl-but-1-en-3-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-(6,6-dimethyl-4-phenyl-cyclohexa-1,3-dien-1-yl)-1-(2-naphthyl)but-1-en-3-ynyl]benzoate CAS Name: 4-[(E)-4-(6,6-dimethyl-4-phenyl-1-cyclohexa-1,3-dienyl)-1-(2-naphthalenyl)but-1-en-3-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-(6,6-dimethyl-4-phenylcyclohexa-1,3-dien-1-yl)-1-naphthalen-2-ylbut-1-en-3-ynyl]benzoate Traditional Name: 4-[(E)-4-(6,6-dimethyl-4-phenyl-cyclohexa-1,3-dien-1-yl)-1-(2-naphthyl)but-1-en-3-ynyl]benzoic acid methyl ester Formula: C36H30O2 MolecularWeight: 494.6222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1C#CC=C(C2=CC=C(C=C2)C(=O)OC)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(=CC=C1C#C/C=C(\C2=CC=C(C=C2)C(=O)OC)/C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C36H30O2/c1-36(2)25-32(26-10-5-4-6-11-26)22-23-33(36)14-9-15-34(28-17-19-29(20-18-28)35(37)38-3)31-21-16-27-12-7-8-13-30(27)24-31/h4-8,10-13,15-24H,25H2,1-3H3/b34-15+