[3-[2,3-bis(2-oxidanyl-3-prop-2-enoyloxy-propoxy)propoxy]-2-oxidanyl-propyl] 4-pyridin-1-ium-1-ylbenzoate

Systemtic Name: [3-[2,3-bis(2-oxidanyl-3-prop-2-enoyloxy-propoxy)propoxy]-2-oxidanyl-propyl] 4-pyridin-1-ium-1-ylbenzoate Openeye Name: [3-[2,3-bis(2-hydroxy-3-prop-2-enoyloxy-propoxy)propoxy]-2-hydroxy-propyl] 4-pyridin-1-ium-1-ylbenzoate CAS Name: 4-(1-pyridin-1-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-pyridin-1-ium-1-ylbenzoate Traditional Name: 4-pyridin-1-ium-1-ylbenzoic acid [3-[2,3-bis(3-acryloyloxy-2-hydroxy-propoxy)propoxy]-2-hydroxy-propyl] ester Formula: C30H38NO12+ MolecularWeight: 604.62222

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCC(COCC(COCC(COC(=O)C1=CC=C(C=C1)[N+]2=CC=CC=C2)O)OCC(COC(=O)C=C)O)O

Isomeric SMILES

C=CC(=O)OCC(COCC(COCC(COC(=O)C1=CC=C(C=C1)[N+]2=CC=CC=C2)O)OCC(COC(=O)C=C)O)O

InChI

InChI=1S/C30H38NO12/c1-3-28(35)41-17-24(32)14-38-20-27(40-16-26(34)18-42-29(36)4-2)21-39-15-25(33)19-43-30(37)22-8-10-23(11-9-22)31-12-6-5-7-13-31/h3-13,24-27,32-34H,1-2,14-21H2/q+1