carboxy-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethyl]azanium; methanesulfonate

Systemtic Name: carboxy-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethyl]azanium; methanesulfonate Openeye Name: carboxy-[2-(7-methoxy-2-oxo-chromen-4-yl)ethyl]ammonium; methanesulfonate CAS Name: carboxy-[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)ethyl]ammonium; methanesulfonate IUPAC Name: carboxy-[2-(7-methoxy-2-oxochromen-4-yl)ethyl]azanium; methanesulfonate Traditional Name: carboxy-[2-(2-keto-7-methoxy-chromen-4-yl)ethyl]ammonium mesylate 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[NH2+]C(=O)O.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC[NH2+]C(=O)O.CS(=O)(=O)[O-]

InChI

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