6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methyl-1,3-thiazol-3-ium-3-yl)hexanal; 4-methylbenzenesulfonate

Systemtic Name: 6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methyl-1,3-thiazol-3-ium-3-yl)hexanal; 4-methylbenzenesulfonate Openeye Name: 6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methylthiazol-3-ium-3-yl)hexanal; 4-methylbenzenesulfonate CAS Name: 6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methyl-3-thiazol-3-iumyl)hexanal; 4-methylbenzenesulfonate IUPAC Name: 6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methyl-1,3-thiazol-3-ium-3-yl)hexanal; 4-methylbenzenesulfonate Traditional Name: 6-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-6-(4-methylthiazol-3-ium-3-yl)hexanal tosylate Formula: C38H63NO7S2 MolecularWeight: 710.03932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCC=O)([N+]2=CSC=C2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCC=O)([N+]2=CSC=C2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H56NO4S.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-30-35-25-29(36-30)31(34-3,23-20-18-21-24-33)32-27-37-26-28(32)2;1-6-2-4-7(5-3-6)11(8,9)10/h24,26-27,29-30H,4-23,25H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1