(2S)-2-azanyl-3-(7-methoxy-2-oxidanylidene-chromen-4-yl)propanoic acid; methanesulfonic acid

Systemtic Name: (2S)-2-azanyl-3-(7-methoxy-2-oxidanylidene-chromen-4-yl)propanoic acid; methanesulfonic acid Openeye Name: (2S)-2-amino-3-(7-methoxy-2-oxo-chromen-4-yl)propanoic acid; methanesulfonic acid CAS Name: (2S)-2-amino-3-(7-methoxy-2-oxo-1-benzopyran-4-yl)propanoic acid; methanesulfonic acid IUPAC Name: (2S)-2-amino-3-(7-methoxy-2-oxochromen-4-yl)propanoic acid; methanesulfonic acid Traditional Name: (2S)-2-amino-3-(2-keto-7-methoxy-chromen-4-yl)propionic acid; mesylic acid Formula: C14H17NO8S MolecularWeight: 359.35168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(C(=O)O)N.CS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[C@@H](C(=O)O)N.CS(=O)(=O)O

InChI

InChI=1S/C13H13NO5.CH4O3S/c1-18-8-2-3-9-7(4-10(14)13(16)17)5-12(15)19-11(9)6-8;1-5(2,3)4/h2-3,5-6,10H,4,14H2,1H3,(H,16,17);1H3,(H,2,3,4)/t10-;/m0./s1