[5-[(2S)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-2-yl]-2-methoxy-phenyl] octadecanoate

Systemtic Name: [5-[(2S)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-2-yl]-2-methoxy-phenyl] octadecanoate Openeye Name: [5-[(2S)-5,7-dihydroxy-4-oxo-chroman-2-yl]-2-methoxy-phenyl] octadecanoate CAS Name: octadecanoic acid [5-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2-methoxyphenyl] ester IUPAC Name: [5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl] octadecanoate Traditional Name: stearic acid [5-[(2S)-5,7-dihydroxy-4-keto-chroman-2-yl]-2-methoxy-phenyl] ester Formula: C34H48O7 MolecularWeight: 568.74072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC

InChI

InChI=1S/C34H48O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(38)41-31-21-25(19-20-29(31)39-2)30-24-28(37)34-27(36)22-26(35)23-32(34)40-30/h19-23,30,35-36H,3-18,24H2,1-2H3/t30-/m0/s1