4-[6-[methoxy(oxidanyl)phosphanyl]oxyhexylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4-[6-[methoxy(oxidanyl)phosphanyl]oxyhexylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4-[6-[hydroxy(methoxy)phosphanyl]oxyhexylcarbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4-[[6-[hydroxy(methoxy)phosphino]oxyhexylamino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4-[6-[hydroxy(methoxy)phosphanyl]oxyhexylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-[6-[hydroxy(methoxy)phosphino]oxyhexylcarbamoyl]benzoic acid Formula: C28H28NO9P MolecularWeight: 553.496981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COP(O)OCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

COP(O)OCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C28H28NO9P/c1-36-39(35)37-13-5-3-2-4-12-29-27(32)17-6-9-20(28(33)34)23(14-17)26-21-10-7-18(30)15-24(21)38-25-16-19(31)8-11-22(25)26/h6-11,14-16,30,35H,2-5,12-13H2,1H3,(H,29,32)(H,33,34)