5-[[5-(3-azidopropylamino)-5-oxidanylidene-pentanoyl]amino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[[5-(3-azidopropylamino)-5-oxidanylidene-pentanoyl]amino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[[5-(3-azidopropylamino)-5-oxo-pentanoyl]amino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[[5-(3-azidopropylamino)-1,5-dioxopentyl]amino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[[5-(3-azidopropylamino)-5-oxopentanoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[[5-(3-azidopropylamino)-5-keto-pentanoyl]amino]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C28H25N5O7 MolecularWeight: 543.5274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCC(=O)NCCCN=[N+]=[N-])C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCC(=O)NCCCN=[N+]=[N-])C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C28H25N5O7/c29-33-31-12-2-11-30-25(36)3-1-4-26(37)32-16-5-8-19(22(13-16)28(38)39)27-20-9-6-17(34)14-23(20)40-24-15-18(35)7-10-21(24)27/h5-10,13-15,34H,1-4,11-12H2,(H,30,36)(H,32,37)(H,38,39)