8-[[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azaniumyl]methyl]-4-oxidanylidene-3-phenoxy-chromen-7-olate

Systemtic Name: 8-[[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azaniumyl]methyl]-4-oxidanylidene-3-phenoxy-chromen-7-olate Openeye Name: 8-[[[(1S)-1-carboxy-2-methyl-butyl]ammonio]methyl]-4-oxo-3-phenoxy-chromen-7-olate CAS Name: 8-[[[(2S)-1-hydroxy-3-methyl-1-oxopentan-2-yl]ammonio]methyl]-4-oxo-3-phenoxy-1-benzopyran-7-olate IUPAC Name: 8-[[[(2S)-1-hydroxy-3-methyl-1-oxopentan-2-yl]azaniumyl]methyl]-4-oxo-3-phenoxychromen-7-olate Traditional Name: 8-[[[(1S)-1-carboxy-2-methyl-butyl]ammonio]methyl]-4-keto-3-phenoxy-chromen-7-olate Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3)[O-]

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23NO6/c1-3-13(2)19(22(26)27)23-11-16-17(24)10-9-15-20(25)18(12-28-21(15)16)29-14-7-5-4-6-8-14/h4-10,12-13,19,23-24H,3,11H2,1-2H3,(H,26,27)/t13?,19-/m0/s1