4-[(2-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(2-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(2-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(2-tert-butyl-4-methylphenoxy)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(2-tert-butyl-4-methylphenoxy)methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(2-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C18H22O4/c1-11-6-7-15(14(8-11)18(3,4)5)21-10-13-9-16(17(19)20)22-12(13)2/h6-9H,10H2,1-5H3,(H,19,20)