methyl 5-(2,2-dimethyl-5-oxidanyl-3H-1-benzofuran-6-yl)-5-methyl-hexanoate

Systemtic Name: methyl 5-(2,2-dimethyl-5-oxidanyl-3H-1-benzofuran-6-yl)-5-methyl-hexanoate Openeye Name: methyl 5-(5-hydroxy-2,2-dimethyl-3H-benzofuran-6-yl)-5-methyl-hexanoate CAS Name: 5-(5-hydroxy-2,2-dimethyl-3H-benzofuran-6-yl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(5-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-5-methylhexanoate Traditional Name: 5-(5-hydroxy-2,2-dimethyl-coumaran-6-yl)-5-methyl-hexanoic acid methyl ester Formula: C18H26O4 MolecularWeight: 306.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2O1)C(C)(C)CCCC(=O)OC)O)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2O1)C(C)(C)CCCC(=O)OC)O)C

InChI

InChI=1S/C18H26O4/c1-17(2,8-6-7-16(20)21-5)13-10-15-12(9-14(13)19)11-18(3,4)22-15/h9-10,19H,6-8,11H2,1-5H3