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Reference substances

Reference substances

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IUPAC name:
Amines, C12-14-branched alkyl, hexadecylbenzenesulfonates (1:1)

Inventory

Synonyms

Molecular and structural information

Molecular formula:
Amines, C12-branched alkyl, hexadecylbenzenesulfonates (1:1):
C35H67NO3S

Amines, C13-branched alkyl, hexadecylbenzenesulfonates (1:1):
C36H69NO3S

Amines, C14-branched alkyl, hexadecylbenzenesulfonates (1:1):
C37H71NO3S
Molecular weight:
>= 568 - <= 596
SMILES notation:
Amines, C12-branched alkyl, hexadecylbenzenesulfonates (1:1):
O=S([O-])(=O)c1ccc(CCCCCCCCCCCCCCCC)cc1.[NH3+]C(CCC)(CCCC)CCCCC

Amines, C13-branched alkyl, hexadecylbenzenesulfonates (1:1):
O=S([O-])(=O)c1ccc(CCCCCCCCCCCCCCCC)cc1.[NH3+]C(CCCC)(CCCC)CCCCC

Amines, C14-branched alkyl, hexadecylbenzenesulfonates (1:1):
O=S([O-])(=O)c1ccc(CCCCCCCCCCCCCCCC)cc1.[NH3+]C(CCCC)(CCCCC)CCCCC
InChl:
Amines, C12-branched alkyl, hexadecylbenzenesulfonates (1:1):
InChI=1S/C22H38O3S.C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25;1-4-7-9-12-13(14,10-6-3)11-8-5-2/h17-20H,2-16H2,1H3,(H,23,24,25);4-12,14H2,1-3H3

Amines, C13-branched alkyl, hexadecylbenzenesulfonates (1:1):
InChI=1S/C22H38O3S.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25;1-4-7-10-13-14(15,11-8-5-2)12-9-6-3/h17-20H,2-16H2,1H3,(H,23,24,25);4-13,15H2,1-3H3

Amines, C14-branched alkyl, hexadecylbenzenesulfonates (1:1):
InChI=1S/C22H38O3S.C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25;1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h17-20H,2-16H2,1H3,(H,23,24,25);4-14,16H2,1-3H3
Structural formula:
Chemical structure

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