3-azanyl-2-(2,6-dimethylphenyl)propan-1-ol; (3S)-2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 3-azanyl-2-(2,6-dimethylphenyl)propan-1-ol; (3S)-2,3-bis(oxidanyl)butanedioic acid Openeye Name: 3-amino-2-(2,6-dimethylphenyl)propan-1-ol; (3S)-2,3-dihydroxybutanedioic acid CAS Name: 3-amino-2-(2,6-dimethylphenyl)-1-propanol; (3S)-2,3-dihydroxybutanedioic acid IUPAC Name: 3-amino-2-(2,6-dimethylphenyl)propan-1-ol; (3S)-2,3-dihydroxybutanedioic acid Traditional Name: 3-amino-2-(2,6-dimethylphenyl)propan-1-ol; (3S)-2,3-dihydroxysuccinic acid Formula: C15H23NO7 MolecularWeight: 329.34562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(CN)CO.[C@H](C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C11H17NO.C4H6O6/c1-8-4-3-5-9(2)11(8)10(6-12)7-13;5-1(3(7)8)2(6)4(9)10/h3-5,10,13H,6-7,12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2?/m.0/s1