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4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline

4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline

Systemtic Name:4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline
Openeye Name:4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline
CAS Name:4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline
IUPAC Name:4-methylbenzenesulfonic acid; 2-octyl-3,4-dihydro-1H-isoquinoline
Traditional Name:2-octyl-3,4-dihydro-1H-isoquinoline; tosylic acid
Formula: C24H35NO3S
MolecularWeight: 417.6046
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC2=CC=CC=C2C1.CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCN1CCC2=CC=CC=C2C1.CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C17H27N.C7H8O3S/c1-2-3-4-5-6-9-13-18-14-12-16-10-7-8-11-17(16)15-18;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,10-11H,2-6,9,12-15H2,1H3;2-5H,1H3,(H,8,9,10)


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