methyl 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoate

Systemtic Name: methyl 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoate Openeye Name: methyl 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoate CAS Name: 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoate Traditional Name: 4-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-anthracen-2-yl]benzoic acid methyl ester Formula: C30H30O2 MolecularWeight: 422.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)C#CC(C)(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)C#CC(C)(C)C)C

InChI

InChI=1S/C30H30O2/c1-29(2,3)15-13-21-14-16-30(4,5)27-19-24-12-11-23(17-25(24)18-26(21)27)20-7-9-22(10-8-20)28(31)32-6/h7-12,14,17-19H,16H2,1-6H3