Catalog Number:
AG000ATA
Chemical Name:
Benzoic acid, 2-hydroxy-3,5-bis[1-methyl-1-(3-methylphenyl)ethyl]-
CAS Number:
114212-49-6
Molecular Formula:
C27H30O3
Molecular Weight:
402.5253
IUPAC Name:
2-hydroxy-3,5-bis[2-(3-methylphenyl)propan-2-yl]benzoic acid
InChI:
InChI=1S/C27H30O3/c1-17-9-7-11-19(13-17)26(3,4)21-15-22(25(29)30)24(28)23(16-21)27(5,6)20-12-8-10-18(2)14-20/h7-16,28H,1-6H3,(H,29,30)
InChI Key:
MXZGRENVQXTIHK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(c1cc(C(=O)O)c(c(c1)C(c1cccc(c1)C)(C)C)O)(C)C