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4-(dimethylaminomethyl)icosan-1-ol; 4-methylbenzenesulfonic acid

4-(dimethylaminomethyl)icosan-1-ol; 4-methylbenzenesulfonic acid

Systemtic Name:4-(dimethylaminomethyl)icosan-1-ol; 4-methylbenzenesulfonic acid
Openeye Name:4-(dimethylaminomethyl)icosan-1-ol; 4-methylbenzenesulfonic acid
CAS Name:4-(dimethylaminomethyl)-1-eicosanol; 4-methylbenzenesulfonic acid
IUPAC Name:4-(dimethylaminomethyl)icosan-1-ol; 4-methylbenzenesulfonic acid
Traditional Name:4-(dimethylaminomethyl)eicosan-1-ol; tosylic acid
Formula: C30H57NO4S
MolecularWeight: 527.84288
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCO)CN(C)C.CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCO)CN(C)C.CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C23H49NO.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(20-18-21-25)22-24(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h23,25H,4-22H2,1-3H3;2-5H,1H3,(H,8,9,10)


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