4-[4,5-bis[bis(oxidanyl)methyl]-2-methyl-phenyl]-5-methyl-phthalic acid

Systemtic Name: 4-[4,5-bis[bis(oxidanyl)methyl]-2-methyl-phenyl]-5-methyl-phthalic acid Openeye Name: 4-[4,5-bis(dihydroxymethyl)-2-methyl-phenyl]-5-methyl-phthalic acid CAS Name: 4-[4,5-bis(dihydroxymethyl)-2-methylphenyl]-5-methylphthalic acid IUPAC Name: 4-[4,5-bis(dihydroxymethyl)-2-methylphenyl]-5-methylphthalic acid Traditional Name: 4-[4,5-bis(dihydroxymethyl)-2-methyl-phenyl]-5-methyl-phthalic acid Formula: C18H18O8 MolecularWeight: 362.33072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)C(=O)O)C(=O)O)C(O)O)C(O)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)C(=O)O)C(=O)O)C(O)O)C(O)O

InChI

InChI=1S/C18H18O8/c1-7-3-11(15(19)20)13(17(23)24)5-9(7)10-6-14(18(25)26)12(16(21)22)4-8(10)2/h3-6,15,17,19-20,23-24H,1-2H3,(H,21,22)(H,25,26)