2-azanyl-3-methyl-benzoate; dodecan-3-one

Systemtic Name: 2-azanyl-3-methyl-benzoate; dodecan-3-one Openeye Name: 2-amino-3-methyl-benzoate; dodecan-3-one CAS Name: 2-amino-3-methylbenzoate; 3-dodecanone IUPAC Name: 2-amino-3-methylbenzoate; dodecan-3-one Traditional Name: 2-amino-3-methyl-benzoate; dodecan-3-one Formula: C20H32NO3- MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)CC.CC1=CC=CC(=C1N)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)CC.CC1=CC=CC(=C1N)C(=O)[O-]

InChI

InChI=1S/C12H24O.C8H9NO2/c1-3-5-6-7-8-9-10-11-12(13)4-2;1-5-3-2-4-6(7(5)9)8(10)11/h3-11H2,1-2H3;2-4H,9H2,1H3,(H,10,11)/p-1