Chem
J-GLOBAL ID:201507021125121778
Nikkaji number:J3.449.099F
2-[(Cyclohexylcarbonyloxy)methyl]-3-phenyl-4-oxo-4H-1-benzothiopyran 1,1-dioxide
2-[(シクロヘキシルカルボニルオキシ)メチル]-3-フェニル-4-オキソ-4H-1-ベンゾチオピラン1,1-ジオキシド
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Substance type:
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
Molecular formula:
C23 H22 O3 [O-]2 [S+2]
Molecular formula furigana:
C23-H22-O5-S
Molecular weight:
410.480
InChI:
InChI=1S/C23H22O5S/c24-22-18-13-7-8-14-19(18)29(26,27)20(21(22)16-9-3-1-4-10-16)15-28-23(25)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2
InChI key:
GDMYRAVKXDUMCJ-UHFFFAOYSA-N
SMILES:
[O-][S+2]1([O-])C(=C(C(=O)c2ccccc12)c1ccccc1)COC(=O)C1CCCCC1
Systematic name (3):
2-[(シクロヘキシルカルボニルオキシ)メチル]-3-フェニル-4-オキソ-4H-1-ベンゾチオピラン1,1-ジオキシド
2-[(シクロヘキサンカルボニルオキシ)メチル]-4-オキソ-3-フェニル-1,4-ジヒドロチオクロメン-1,1-ジイウム-1,1-ビス(オラート)
2-[(cyclohexanecarbonyloxy)methyl]-4-oxo-3-phenyl-1,4-dihydrothiochromene-1,1-diium-1,1-bis(olate)
Other name (1):
2-[(Cyclohexylcarbonyloxy)methyl]-3-phenyl-4-oxo-4H-1-benzothiopyran 1,1-dioxide
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