ethyl 2-butanoyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]undecanoate

Systemtic Name: ethyl 2-butanoyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]undecanoate Openeye Name: ethyl 2-butanoyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]undecanoate CAS Name: 11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(1-oxobutyl)undecanoic acid ethyl ester IUPAC Name: ethyl 2-butanoyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]undecanoate Traditional Name: 2-butyryl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]undecanoic acid ethyl ester Formula: C33H46O6 MolecularWeight: 538.71474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCCCCCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CCCCCCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O)C(=O)OCC

InChI

InChI=1S/C33H46O6/c1-4-13-30(36)28(32(37)38-5-2)14-11-9-7-6-8-10-12-15-29-27-21-20-26(35)22-31(27)39-23-33(29,3)24-16-18-25(34)19-17-24/h16-22,28-29,34-35H,4-15,23H2,1-3H3