5-[[3-tert-butyl-5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-4-hexoxy-phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-tert-butyl-5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-4-hexoxy-phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-tert-butyl-5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-4-hexoxy-phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[3-tert-butyl-5-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-4-hexoxyphenyl]methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[[3-tert-butyl-5-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-4-hexoxyphenyl]methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[3-tert-butyl-5-(3-carboxy-4-hydroxy-5-methyl-benzyl)-4-hexoxy-benzyl]-2-hydroxy-3-methyl-benzoic acid Formula: C34H42O7 MolecularWeight: 562.69308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C(C)(C)C)CC2=CC(=C(C(=C2)C(=O)O)O)C)CC3=CC(=C(C(=C3)C(=O)O)O)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1C(C)(C)C)CC2=CC(=C(C(=C2)C(=O)O)O)C)CC3=CC(=C(C(=C3)C(=O)O)O)C

InChI

InChI=1S/C34H42O7/c1-7-8-9-10-11-41-31-25(15-23-13-21(3)30(36)27(18-23)33(39)40)16-24(19-28(31)34(4,5)6)14-22-12-20(2)29(35)26(17-22)32(37)38/h12-13,16-19,35-36H,7-11,14-15H2,1-6H3,(H,37,38)(H,39,40)