3-[[3-[3,4-bis(oxidanyl)phenyl]-2-diazanyl-2-methyl-propanoyl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-[3,4-bis(oxidanyl)phenyl]-2-diazanyl-2-methyl-propanoyl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoyl]oxymethyl]benzoic acid CAS Name: 3-[[3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-1-oxopropoxy]methyl]benzoic acid IUPAC Name: 3-[[3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoyl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoyl]oxymethyl]benzoic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OCC2=CC=CC(=C2)C(=O)O)NN

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OCC2=CC=CC(=C2)C(=O)O)NN

InChI

InChI=1S/C18H20N2O6/c1-18(20-19,9-11-5-6-14(21)15(22)8-11)17(25)26-10-12-3-2-4-13(7-12)16(23)24/h2-8,20-22H,9-10,19H2,1H3,(H,23,24)