2-(3-azanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)-4-(6-phosphonooxyhexylcarbamoyl)benzoic acid

Systemtic Name: 2-(3-azanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)-4-(6-phosphonooxyhexylcarbamoyl)benzoic acid Openeye Name: 2-(3-amino-6-oxo-8a,9-dihydroxanthen-9-yl)-4-(6-phosphonooxyhexylcarbamoyl)benzoic acid CAS Name: 2-(3-amino-6-oxo-8a,9-dihydroxanthen-9-yl)-4-[oxo-(6-phosphonooxyhexylamino)methyl]benzoic acid IUPAC Name: 2-(3-amino-6-oxo-8a,9-dihydroxanthen-9-yl)-4-(6-phosphonooxyhexylcarbamoyl)benzoic acid Traditional Name: 2-(3-amino-6-keto-8a,9-dihydroxanthen-9-yl)-4-(6-phosphonooxyhexylcarbamoyl)benzoic acid Formula: C27H29N2O9P MolecularWeight: 556.500921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=C2C1C(C3=C(O2)C=C(C=C3)N)C4=C(C=CC(=C4)C(=O)NCCCCCCOP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=O)C=C2C1C(C3=C(O2)C=C(C=C3)N)C4=C(C=CC(=C4)C(=O)NCCCCCCOP(=O)(O)O)C(=O)O

InChI

InChI=1S/C27H29N2O9P/c28-17-6-9-20-23(14-17)38-24-15-18(30)7-10-21(24)25(20)22-13-16(5-8-19(22)27(32)33)26(31)29-11-3-1-2-4-12-37-39(34,35)36/h5-10,13-15,21,25H,1-4,11-12,28H2,(H,29,31)(H,32,33)(H2,34,35,36)