4-(4-hydroxyphenyl)butan-2-yl 4-(2-methoxycarbonyl-6-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)benzoate

Systemtic Name: 4-(4-hydroxyphenyl)butan-2-yl 4-(2-methoxycarbonyl-6-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)benzoate Openeye Name: [3-(4-hydroxyphenyl)-1-methyl-propyl] 3,5-dihydroxy-4-(2-hydroxy-6-methoxycarbonyl-benzoyl)benzoate CAS Name: 3,5-dihydroxy-4-[(2-hydroxy-6-methoxycarbonylphenyl)-oxomethyl]benzoic acid 4-(4-hydroxyphenyl)butan-2-yl ester IUPAC Name: 4-(4-hydroxyphenyl)butan-2-yl 3,5-dihydroxy-4-(2-hydroxy-6-methoxycarbonylbenzoyl)benzoate Traditional Name: 4-(2-carbomethoxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid [3-(4-hydroxyphenyl)-1-methyl-propyl] ester Formula: C26H24O9 MolecularWeight: 480.46336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)OC)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)OC)O

InChI

InChI=1S/C26H24O9/c1-14(6-7-15-8-10-17(27)11-9-15)35-25(32)16-12-20(29)23(21(30)13-16)24(31)22-18(26(33)34-2)4-3-5-19(22)28/h3-5,8-14,27-30H,6-7H2,1-2H3