2-butyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]undecanoic acid

Systemtic Name: 2-butyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]undecanoic acid Openeye Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]undecanoic acid CAS Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]undecanoic acid IUPAC Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]undecanoic acid Traditional Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]undecanoic acid Formula: C31H44O5 MolecularWeight: 496.67806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCC(CCCCCCCCCC1C2=C(C=C(C=C2)O)OCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C31H44O5/c1-3-4-12-23(30(34)35)13-10-8-6-5-7-9-11-14-28-27-20-19-26(33)21-29(27)36-22-31(28,2)24-15-17-25(32)18-16-24/h15-21,23,28,32-33H,3-14,22H2,1-2H3,(H,34,35)