5-[[5-(hydroxymethyl)-6-phosphonooxy-hexyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 5-[[5-(hydroxymethyl)-6-phosphonooxy-hexyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)cyclohexane-1-carboxylic acid Openeye Name: 5-[[5-(hydroxymethyl)-6-phosphonooxy-hexyl]carbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)cyclohexanecarboxylic acid CAS Name: 5-[[[5-(hydroxymethyl)-6-phosphonooxyhexyl]amino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 5-[[5-(hydroxymethyl)-6-phosphonooxyhexyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)cyclohexane-1-carboxylic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-[(5-methylol-6-phosphonooxy-hexyl)carbamoyl]cyclohexanecarboxylic acid Formula: C28H34NO11P MolecularWeight: 591.543421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)NCCCCC(CO)COP(=O)(O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1CC(C(CC1C(=O)NCCCCC(CO)COP(=O)(O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C28H34NO11P/c30-14-16(15-39-41(36,37)38)3-1-2-10-29-27(33)17-4-7-20(23(11-17)28(34)35)26-21-8-5-18(31)12-24(21)40-25-13-19(32)6-9-22(25)26/h5-6,8-9,12-13,16-17,20,23,30-31H,1-4,7,10-11,14-15H2,(H,29,33)(H,34,35)(H2,36,37,38)