(2S)-2-[(4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylazaniumyl]propanoate

Systemtic Name: (2S)-2-[(4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylazaniumyl]propanoate Openeye Name: (2S)-2-[(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylammonio]propanoate CAS Name: (2S)-2-[(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methylammonio]propanoate IUPAC Name: (2S)-2-[(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylazaniumyl]propanoate Traditional Name: (2S)-2-[(4-hydroxy-7-keto-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylammonio]propionate Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]CC1C2C(=C(C(=CO2)OC3=CC=CC=C3)O)CCC1=O

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]CC1C2C(=C(C(=CO2)OC3=CC=CC=C3)O)CCC1=O

InChI

InChI=1S/C19H21NO6/c1-11(19(23)24)20-9-14-15(21)8-7-13-17(22)16(10-25-18(13)14)26-12-5-3-2-4-6-12/h2-6,10-11,14,18,20,22H,7-9H2,1H3,(H,23,24)/t11-,14?,18?/m0/s1