2-[5-acetyloxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-4-yl]ethanoic acid

Systemtic Name: 2-[5-acetyloxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-4-yl]ethanoic acid Openeye Name: 2-[5-acetoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-yl]acetic acid CAS Name: 2-[5-acetyloxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[5-acetyloxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-4-yl]acetic acid Traditional Name: 2-[5-acetoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-yl]acetic acid Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC(=O)O)C(=C1)OC(=O)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC(=O)O)C(=C1)OC(=O)C

InChI

InChI=1S/C24H36O5/c1-7-8-9-10-11-23(3,4)18-13-19(28-16(2)25)22-17(12-21(26)27)15-24(5,6)29-20(22)14-18/h13-14,17H,7-12,15H2,1-6H3,(H,26,27)