(2S)-2-azaniumyl-3-[(4S)-4-oxidanylcyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(4S)-4-oxidanylcyclohexa-1,5-dien-1-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4S)-4-hydroxycyclohexa-1,5-dien-1-yl]propanoate CAS Name: (2S)-2-ammonio-3-[(4S)-4-hydroxy-1-cyclohexa-1,5-dienyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4S)-4-hydroxycyclohexa-1,5-dien-1-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4S)-4-hydroxycyclohexa-1,5-dien-1-yl]propionate Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1C=C(C=C[C@H]1O)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-3,7-8,11H,4-5,10H2,(H,12,13)/t7-,8+/m1/s1