2-[(4-methyl-2-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]ethanoic acid

Systemtic Name: 2-[(4-methyl-2-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]ethanoic acid Openeye Name: 2-[(4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]acetic acid CAS Name: 2-[(4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1-benzopyran-7-yl)oxy]acetic acid IUPAC Name: 2-[(4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]acetic acid Traditional Name: 2-[(2-keto-4-methyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]acetic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2C1CCC(C2)OCC(=O)O

Isomeric SMILES

CC1=CC(=O)OC2C1CCC(C2)OCC(=O)O

InChI

InChI=1S/C12H16O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h4,8-10H,2-3,5-6H2,1H3,(H,13,14)