[(1E,7Z,9Z)-3-(2-azanylethyl)-1-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-3,6-bis(oxidanyl)-10-(3-oxidanylcyclohexyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate

Systemtic Name: [(1E,7Z,9Z)-3-(2-azanylethyl)-1-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-3,6-bis(oxidanyl)-10-(3-oxidanylcyclohexyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate Openeye Name: [(4Z,6Z)-1-[(E)-1-(2-aminoethyl)-3-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxy-allyl]-3-hydroxy-7-(3-hydroxycyclohexyl)hepta-4,6-dienyl] dihydrogen phosphate CAS Name: [(1E,7Z,9Z)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-(3-hydroxycyclohexyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate IUPAC Name: [(1E,7Z,9Z)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-(3-hydroxycyclohexyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate Traditional Name: [(4Z,6Z)-1-[(E)-1-(2-aminoethyl)-3-(3-ethyl-6-keto-2,3-dihydropyran-2-yl)-1-hydroxy-allyl]-3-hydroxy-7-(3-hydroxycyclohexyl)hepta-4,6-dienyl] dihydrogen phosphate Formula: C25H40NO9P MolecularWeight: 529.560161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CC(=O)OC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)O)O)OP(=O)(O)O)O

Isomeric SMILES

CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C\C=C/C2CCCC(C2)O)O)OP(=O)(O)O)O

InChI

InChI=1S/C25H40NO9P/c1-2-19-10-11-24(29)34-22(19)12-13-25(30,14-15-26)23(35-36(31,32)33)17-21(28)8-4-3-6-18-7-5-9-20(27)16-18/h3-4,6,8,10-13,18-23,27-28,30H,2,5,7,9,14-17,26H2,1H3,(H2,31,32,33)/b6-3-,8-4-,13-12+