[4-(3,7-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-6-methoxy-cyclohexa-2,4-dien-1-yl] (2S)-2-azanylpropanoate hydrobromide

Systemtic Name: [4-(3,7-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-6-methoxy-cyclohexa-2,4-dien-1-yl] (2S)-2-azanylpropanoate hydrobromide Openeye Name: [4-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-6-methoxy-cyclohexa-2,4-dien-1-yl] (2S)-2-aminopropanoate hydrobromide CAS Name: (2S)-2-aminopropanoic acid [4-(5-hydroxy-3,7-dimethoxy-4-oxo-1-benzopyran-2-yl)-6-methoxy-1-cyclohexa-2,4-dienyl] ester hydrobromide IUPAC Name: [4-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-6-methoxycyclohexa-2,4-dien-1-yl] (2S)-2-aminopropanoate hydrobromide Traditional Name: (2S)-2-aminopropionic acid [4-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-6-methoxy-cyclohexa-2,4-dien-1-yl] ester hydrobromide Formula: C21H24BrNO8 MolecularWeight: 498.32116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1C=CC(=CC1OC)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)N.Br

Isomeric SMILES

C[C@@H](C(=O)OC1C=CC(=CC1OC)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)N.Br

InChI

InChI=1S/C21H23NO8.BrH/c1-10(22)21(25)30-14-6-5-11(7-15(14)27-3)19-20(28-4)18(24)17-13(23)8-12(26-2)9-16(17)29-19;/h5-10,14-15,23H,22H2,1-4H3;1H/t10-,14?,15?;/m0./s1