2-[[5,7-dimethyl-2-(9-methyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy]propanoic acid

Systemtic Name: 2-[[5,7-dimethyl-2-(9-methyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy]propanoic acid Openeye Name: 2-[5,7-dimethyl-2-(9-methyltridecyl)chroman-6-yl]oxypropanoic acid CAS Name: 2-[[5,7-dimethyl-2-(9-methyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]propanoic acid IUPAC Name: 2-[[5,7-dimethyl-2-(9-methyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy]propanoic acid Traditional Name: 2-[5,7-dimethyl-2-(9-methyltridecyl)chroman-6-yl]oxypropionic acid Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCCCCCCC1CCC2=C(O1)C=C(C(=C2C)OC(C)C(=O)O)C

Isomeric SMILES

CCCCC(C)CCCCCCCCC1CCC2=C(O1)C=C(C(=C2C)OC(C)C(=O)O)C

InChI

InChI=1S/C28H46O4/c1-6-7-14-20(2)15-12-10-8-9-11-13-16-24-17-18-25-22(4)27(31-23(5)28(29)30)21(3)19-26(25)32-24/h19-20,23-24H,6-18H2,1-5H3,(H,29,30)