5-anthracen-2-yl-5-methyl-hexanoic acid; methyl 3-anthracen-2-yl-3-methyl-butanoate

Systemtic Name: 5-anthracen-2-yl-5-methyl-hexanoic acid; methyl 3-anthracen-2-yl-3-methyl-butanoate Openeye Name: 5-(2-anthryl)-5-methyl-hexanoic acid; methyl 3-(2-anthryl)-3-methyl-butanoate CAS Name: 3-(2-anthracenyl)-3-methylbutanoic acid methyl ester; 5-(2-anthracenyl)-5-methylhexanoic acid IUPAC Name: 5-anthracen-2-yl-5-methylhexanoic acid; methyl 3-anthracen-2-yl-3-methylbutanoate Traditional Name: 3-(2-anthryl)-3-methyl-butyric acid methyl ester; 5-(2-anthryl)-5-methyl-hexanoic acid Formula: C41H42O4 MolecularWeight: 598.76978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=CC2=CC3=CC=CC=C3C=C2C=C1.CC(C)(CC(=O)OC)C1=CC2=CC3=CC=CC=C3C=C2C=C1

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC2=CC3=CC=CC=C3C=C2C=C1.CC(C)(CC(=O)OC)C1=CC2=CC3=CC=CC=C3C=C2C=C1

InChI

InChI=1S/C21H22O2.C20H20O2/c1-21(2,11-5-8-20(22)23)19-10-9-17-12-15-6-3-4-7-16(15)13-18(17)14-19;1-20(2,13-19(21)22-3)18-9-8-16-10-14-6-4-5-7-15(14)11-17(16)12-18/h3-4,6-7,9-10,12-14H,5,8,11H2,1-2H3,(H,22,23);4-12H,13H2,1-3H3