[3-[2,3-bis(2-oxidanyl-3-prop-2-enoyloxy-propoxy)propoxy]-2-oxidanyl-propyl] 4-morpholin-4-ium-4-ylbenzoate

Systemtic Name: [3-[2,3-bis(2-oxidanyl-3-prop-2-enoyloxy-propoxy)propoxy]-2-oxidanyl-propyl] 4-morpholin-4-ium-4-ylbenzoate Openeye Name: [3-[2,3-bis(2-hydroxy-3-prop-2-enoyloxy-propoxy)propoxy]-2-hydroxy-propyl] 4-morpholin-4-ium-4-ylbenzoate CAS Name: 4-(4-morpholin-4-iumyl)benzoic acid [3-[2,3-bis[2-hydroxy-3-(1-oxoprop-2-enoxy)propoxy]propoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[2,3-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]-2-hydroxypropyl] 4-morpholin-4-ium-4-ylbenzoate Traditional Name: 4-morpholin-4-ium-4-ylbenzoic acid [3-[2,3-bis(3-acryloyloxy-2-hydroxy-propoxy)propoxy]-2-hydroxy-propyl] ester Formula: C29H42NO13+ MolecularWeight: 612.64268

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCC(COCC(COCC(COC(=O)C1=CC=C(C=C1)[NH+]2CCOCC2)O)OCC(COC(=O)C=C)O)O

Isomeric SMILES

C=CC(=O)OCC(COCC(COCC(COC(=O)C1=CC=C(C=C1)[NH+]2CCOCC2)O)OCC(COC(=O)C=C)O)O

InChI

InChI=1S/C29H41NO13/c1-3-27(34)41-16-23(31)13-38-19-26(40-15-25(33)17-42-28(35)4-2)20-39-14-24(32)18-43-29(36)21-5-7-22(8-6-21)30-9-11-37-12-10-30/h3-8,23-26,31-33H,1-2,9-20H2/p+1