12-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]dodecanoic acid

Systemtic Name: 12-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]dodecanoic acid Openeye Name: 12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]dodecanoic acid CAS Name: 12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]dodecanoic acid IUPAC Name: 12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]dodecanoic acid Traditional Name: 12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]lauric acid Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1CCCCCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(COC2=C(C1CCCCCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C28H38O5/c1-28(21-13-15-22(29)16-14-21)20-33-26-19-23(30)17-18-24(26)25(28)11-9-7-5-3-2-4-6-8-10-12-27(31)32/h13-19,25,29-30H,2-12,20H2,1H3,(H,31,32)