DIMETHYLBENZOIC ACID
Molecular Formula:
C
27
H
30
O
6
InChI:
InChI=1/3C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9(10)11)7(2)5-6;1-6-4-3-5-8(7(6)2)9(10)11/h3*3-5H,1-2H3,(H,10,11)/f/h3*10H
InChIKey:
InChIKey=FYZOKKSPGVZPIN-NPOWUZISCJ
SMILES:
CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC=CC(=C1C)C(=O)O.CC1=CC(=CC(=C1)C(=O)O)C
Names:
DIMETHYLBENZOIC ACID
2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid
30587-19-0
Registries:
PubChem CID 35398
PubChem ID 177048