2-azanylethyl [(12E)-17-methyl-3-oxidanyl-19-oxidanylidene-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate

Systemtic Name: 2-azanylethyl [(12E)-17-methyl-3-oxidanyl-19-oxidanylidene-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate Openeye Name: 2-aminoethyl [(12E)-3-hydroxy-17-methyl-19-oxo-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate CAS Name: 2-aminoethyl [(12E)-3-hydroxy-17-methyl-19-oxo-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate IUPAC Name: 2-aminoethyl [(12E)-3-hydroxy-17-methyl-19-oxo-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate Traditional Name: 2-aminoethyl [(12E)-3-hydroxy-19-keto-17-methyl-18,25-dioxabicyclo[22.1.0]pentacos-12-en-23-yl] hydrogen phosphate Formula: C26H48NO8P MolecularWeight: 533.634981

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC=CCCCCCCCCC(CC2C(O2)C(CCCC(=O)O1)OP(=O)(O)OCCN)O

Isomeric SMILES

CC1CCC/C=C/CCCCCCCCC(CC2C(O2)C(CCCC(=O)O1)OP(=O)(O)OCCN)O

InChI

InChI=1S/C26H48NO8P/c1-21-14-11-9-7-5-3-2-4-6-8-10-12-15-22(28)20-24-26(34-24)23(16-13-17-25(29)33-21)35-36(30,31)32-19-18-27/h5,7,21-24,26,28H,2-4,6,8-20,27H2,1H3,(H,30,31)/b7-5+