dodecanoic acid; (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one

Systemtic Name: dodecanoic acid; (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one Openeye Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; dodecanoic acid CAS Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; dodecanoic acid IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one; dodecanoic acid Traditional Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; lauric acid Formula: C28H38O8 MolecularWeight: 502.59652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O.COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)O.COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C16H14O6.C12H24O2/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-6,14,17-19H,7H2,1H3;2-11H2,1H3,(H,13,14)/t14-;/m0./s1