4-methyl-2,6-bis(oxidanyl)benzoic acid hydrate

Systemtic Name: 4-methyl-2,6-bis(oxidanyl)benzoic acid hydrate Openeye Name: 2,6-dihydroxy-4-methyl-benzoic acid hydrate CAS Name: 2,6-dihydroxy-4-methylbenzoic acid hydrate IUPAC Name: 2,6-dihydroxy-4-methylbenzoic acid hydrate Traditional Name: 2,6-dihydroxy-4-methyl-benzoic acid hydrate Formula: C8H10O5 MolecularWeight: 186.162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C(=O)O)O.O

Isomeric SMILES

CC1=CC(=C(C(=C1)O)C(=O)O)O.O

InChI

InChI=1S/C8H8O4.H2O/c1-4-2-5(9)7(8(11)12)6(10)3-4;/h2-3,9-10H,1H3,(H,11,12);1H2