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Reference substances

Reference substances

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General information

Inventory

EC number:
269-657-0
EC name:
Fatty acids, soya
CAS number:
68308-53-2

No inventory information available

Reference substance information

IUPAC name:
Fatty acids, soya

CAS information

CAS number:
68308-53-2

Molecular and structural information

Molecular formula:
C16H32O2; C18H36O2; C18H34O2; C18H32O2; C18H30O2
Molecular weight:
>= 256.42 - <= 284.48
SMILES notation:
C16: O=C(O)CCCCCCCCCCCCCCC
C18: O=C(O)CCCCCCCCCCCCCCCCC
C18:1: O=C(O)CCCCCCC/C=C\CCCCCCCC (representative: z-isomer)
C18:2: O=C(O)CCCCCCC/C=C\C/C=C\CCCCC (representative: z-isomer)
C18:3: O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC (representative: z-isomer)
InChl:
C16: InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
C18: InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
C18:1: InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- (representative: z-isomer)
C18:2: InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- (representative: z-isomer)
C18:3: InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- (representative: z-isomer)
Structural formula:
Chemical structure