4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butanoic acid Openeye Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butanoic acid CAS Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]butanoic acid IUPAC Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]butanoic acid Traditional Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butyric acid Formula: C26H26O6 MolecularWeight: 434.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1C3=CC=C(C=C3)OCCCC(=O)O)C=CC(=C2)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(COC2=C(C1C3=CC=C(C=C3)OCCCC(=O)O)C=CC(=C2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H26O6/c1-26(18-6-8-19(27)9-7-18)16-32-23-15-20(28)10-13-22(23)25(26)17-4-11-21(12-5-17)31-14-2-3-24(29)30/h4-13,15,25,27-28H,2-3,14,16H2,1H3,(H,29,30)