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

Systemtic Name: 3-(4-hydroxyphenyl)propyl 4-(2-methoxycarbonyl-6-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)benzoate Openeye Name: 3-(4-hydroxyphenyl)propyl 3,5-dihydroxy-4-(2-hydroxy-6-methoxycarbonyl-benzoyl)benzoate CAS Name: 3,5-dihydroxy-4-[(2-hydroxy-6-methoxycarbonylphenyl)-oxomethyl]benzoic acid 3-(4-hydroxyphenyl)propyl ester IUPAC Name: 3-(4-hydroxyphenyl)propyl 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)propyl ester Formula: C25H22O9 MolecularWeight: 466.43678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)O)C(=O)C2=C(C=C(C=C2O)C(=O)OCCCC3=CC=C(C=C3)O)O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)O)C(=O)C2=C(C=C(C=C2O)C(=O)OCCCC3=CC=C(C=C3)O)O

InChI

InChI=1S/C25H22O9/c1-33-25(32)17-5-2-6-18(27)21(17)23(30)22-19(28)12-15(13-20(22)29)24(31)34-11-3-4-14-7-9-16(26)10-8-14/h2,5-10,12-13,26-29H,3-4,11H2,1H3