Chem
J-GLOBAL ID:201307007870056947
Nikkaji number:J3.160.529F
(1S)-1β-Isopropyl-2β-(2,4,7-triethynyl-9-pentyl-9H-fluorene-9-yl)-4α-methylcyclohexane
(1S)-1β-イソプロピル-2β-(2,4,7-トリエチニル-9-ペンチル-9H-フルオレン-9-イル)-4α-メチルシクロヘキサン
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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:
C34 H38
Molecular formula furigana:
C34-H38
Molecular weight:
446.678
InChI:
InChI=1S/C34H38/c1-8-12-13-18-34(30-19-24(7)14-16-28(30)23(5)6)31-21-25(9-2)15-17-29(31)33-27(11-4)20-26(10-3)22-32(33)34/h2-4,15,17,20-24,28,30H,8,12-14,16,18-19H2,1,5-7H3/t24-,28+,30+,34?/m1/s1
InChI key:
UCTGEORKLWAQHM-NGIQEMALSA-N
SMILES:
CCCCCC1([C@H]2C[C@H](C)CC[C@H]2C(C)C)c2cc(ccc2c2c1cc(cc2C#C)C#C)C#C
Systematic name (3):
(1S)-1β-イソプロピル-2β-(2,4,7-トリエチニル-9-ペンチル-9H-フルオレン-9-イル)-4α-メチルシクロヘキサン
2,4,7-トリエチニル-9-[(1S,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]-9-ペンチル-9H-フルオレン
2,4,7-triethynyl-9-[(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]-9-pentyl-9H-fluorene
Other name (1):
(1S)-1β-Isopropyl-2β-(2,4,7-triethynyl-9-pentyl-9H-fluorene-9-yl)-4α-methylcyclohexane
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