5-[2,5-dimethyl-4,7-bis(oxidanyl)-3,4-dihydrochromen-2-yl]pentanoic acid

Systemtic Name: 5-[2,5-dimethyl-4,7-bis(oxidanyl)-3,4-dihydrochromen-2-yl]pentanoic acid Openeye Name: 5-(4,7-dihydroxy-2,5-dimethyl-chroman-2-yl)pentanoic acid CAS Name: 5-(4,7-dihydroxy-2,5-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)pentanoic acid IUPAC Name: 5-(4,7-dihydroxy-2,5-dimethyl-3,4-dihydrochromen-2-yl)pentanoic acid Traditional Name: 5-(4,7-dihydroxy-2,5-dimethyl-chroman-2-yl)valeric acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(CC(O2)(C)CCCCC(=O)O)O)O

Isomeric SMILES

CC1=CC(=CC2=C1C(CC(O2)(C)CCCCC(=O)O)O)O

InChI

InChI=1S/C16H22O5/c1-10-7-11(17)8-13-15(10)12(18)9-16(2,21-13)6-4-3-5-14(19)20/h7-8,12,17-18H,3-6,9H2,1-2H3,(H,19,20)