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

Systemtic Name: [3-[2,3-bis(3-ethenoxy-2-oxidanyl-propoxy)propoxy]-2-oxidanyl-propyl] 4-pyridin-1-ium-1-ylbenzoate Openeye Name: [3-[2,3-bis(2-hydroxy-3-vinyloxy-propoxy)propoxy]-2-hydroxy-propyl] 4-pyridin-1-ium-1-ylbenzoate CAS Name: 4-(1-pyridin-1-iumyl)benzoic acid [3-[2,3-bis(3-ethenoxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[2,3-bis(3-ethenoxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] 4-pyridin-1-ium-1-ylbenzoate Traditional Name: 4-pyridin-1-ium-1-ylbenzoic acid [3-[2,3-bis(2-hydroxy-3-vinyloxy-propoxy)propoxy]-2-hydroxy-propyl] ester Formula: C28H38NO10+ MolecularWeight: 548.60202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38NO10/c1-3-34-14-24(30)16-36-20-27(38-18-25(31)15-35-4-2)21-37-17-26(32)19-39-28(33)22-8-10-23(11-9-22)29-12-6-5-7-13-29/h3-13,24-27,30-32H,1-2,14-21H2/q+1