6,6-bis(3-methyl-4-oxidanyl-phenyl)heptanoic acid

Systemtic Name: 6,6-bis(3-methyl-4-oxidanyl-phenyl)heptanoic acid Openeye Name: 6,6-bis(4-hydroxy-3-methyl-phenyl)heptanoic acid CAS Name: 6,6-bis(4-hydroxy-3-methylphenyl)heptanoic acid IUPAC Name: 6,6-bis(4-hydroxy-3-methylphenyl)heptanoic acid Traditional Name: 6,6-bis(4-hydroxy-3-methyl-phenyl)enanthic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(CCCCC(=O)O)C2=CC(=C(C=C2)O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(CCCCC(=O)O)C2=CC(=C(C=C2)O)C)O

InChI

InChI=1S/C21H26O4/c1-14-12-16(7-9-18(14)22)21(3,11-5-4-6-20(24)25)17-8-10-19(23)15(2)13-17/h7-10,12-13,22-23H,4-6,11H2,1-3H3,(H,24,25)