hexyl 5-(2,2-dimethyl-6-oxidanyl-4-propan-2-yl-3,4-dihydrochromen-7-yl)-5-methyl-hexanoate

Systemtic Name: hexyl 5-(2,2-dimethyl-6-oxidanyl-4-propan-2-yl-3,4-dihydrochromen-7-yl)-5-methyl-hexanoate Openeye Name: hexyl 5-(6-hydroxy-4-isopropyl-2,2-dimethyl-chroman-7-yl)-5-methyl-hexanoate CAS Name: 5-(6-hydroxy-2,2-dimethyl-4-propan-2-yl-3,4-dihydro-2H-1-benzopyran-7-yl)-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-(6-hydroxy-2,2-dimethyl-4-propan-2-yl-3,4-dihydrochromen-7-yl)-5-methylhexanoate Traditional Name: 5-(6-hydroxy-4-isopropyl-2,2-dimethyl-chroman-7-yl)-5-methyl-hexanoic acid hexyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C2C(CC(OC2=C1)(C)C)C(C)C)O

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C2C(CC(OC2=C1)(C)C)C(C)C)O

InChI

InChI=1S/C27H44O4/c1-8-9-10-11-15-30-25(29)13-12-14-26(4,5)22-17-24-20(16-23(22)28)21(19(2)3)18-27(6,7)31-24/h16-17,19,21,28H,8-15,18H2,1-7H3