4-[4-[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]-2-oxidanyl-butoxy]benzoic acid

Systemtic Name: 4-[4-[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]-2-oxidanyl-butoxy]benzoic acid Openeye Name: 4-[2-hydroxy-4-[4-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]butoxy]benzoic acid CAS Name: 4-[2-hydroxy-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butoxy]benzoic acid IUPAC Name: 4-[2-hydroxy-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butoxy]benzoic acid Traditional Name: 4-[2-hydroxy-4-[4-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]butoxy]benzoic acid Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)(CO)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H26O5/c1-21(2,14-22)17-8-3-15(4-9-17)5-10-18(23)13-26-19-11-6-16(7-12-19)20(24)25/h3-4,6-9,11-12,18,22-23H,5,10,13-14H2,1-2H3,(H,24,25)