Chem
J-GLOBAL ID：200907020058820440
Nikkaji number：J2.066.617J
(1R,6R,7S,10S)-10-Isothiocyanatocadin-4-ene
(1R,6R,7S,10S)-10-イソチオシアナトカジナ-4-エン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C16H25NS
Molecular formula furigana： C16-H25-N-S
Molecular weight： 263.440
InChI：
InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14-,15+,16-/m0/s1
InChI key：
SRYJMNDTUAKSRD-JONQDZQNSA-N
SMILES：
CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CCC(=C[C@@H]12)C
Systematic name (4)：
- (1S,4S,4aR,8aR)-1,2,3,4,4a,7,8,8a-オクタヒドロ-4-イソプロピル-1-イソチオシアナト-1,6-ジメチルナフタレン
- [(1S)-1,6-ジメチル-4β-イソプロピル-1,2,3,4,4aβ,7,8,8aα-オクタヒドロナフタレン-1β-イル]イソチオシアナート
- (1S,4S,4aR,8aR)-4-イソチオシアナト-4,7-ジメチル-1-(プロパン-2-イル)-1,2,3,4,4a,5,6,8a-オクタヒドロナフタレン
- (1S,4S,4aR,8aR)-4-isothiocyanato-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- (1S,4S,4aR,8aR)-1,2,3,4,4a,7,8,8a-Octahydro-4-isopropyl-1-isothiocyanato-1,6-dimethylnaphthalene
- (1R,6R,7S,10S)-10-イソチオシアナトカジナ-4-エン
- (1R,6R,7S,10S)-10-Isothiocyanatocadin-4-ene
- [(1S)-1,6-Dimethyl-4β-isopropyl-1,2,3,4,4aβ,7,8,8aα-octahydronaphthalene-1β-yl] isothiocyanate
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