3-[2-azanyl-3-[2,7-bis(bromanyl)-9H-xanthen-9-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid

Systemtic Name: 3-[2-azanyl-3-[2,7-bis(bromanyl)-9H-xanthen-9-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-1-[(2,7-dibromo-9H-xanthen-9-yl)methyl]-2-hydroxy-2-oxo-ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-3-(2,7-dibromo-9H-xanthen-9-yl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-3-(2,7-dibromo-9H-xanthen-9-yl)-1-hydroxy-1-oxopropan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-1-[(2,7-dibromo-9H-xanthen-9-yl)methyl]-2-hydroxy-2-keto-ethyl]cyclobutanecarboxylic acid Formula: C21H19Br2NO5 MolecularWeight: 525.18726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2C3=C(C=CC(=C3)Br)OC4=C2C=C(C=C4)Br)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(CC1C(CC2C3=C(C=CC(=C3)Br)OC4=C2C=C(C=C4)Br)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H19Br2NO5/c22-12-1-3-17-14(7-12)16(15-8-13(23)2-4-18(15)29-17)9-21(24,20(27)28)11-5-10(6-11)19(25)26/h1-4,7-8,10-11,16H,5-6,9,24H2,(H,25,26)(H,27,28)