Chem
J-GLOBAL ID:200907048146570847
Nikkaji number:J2.461.971K
4-[[4-[Tris[4-(mercaptomethyl)phenyl]methyl]phenyl]ethynyl]benzoic acid
4-[[4-[トリス[4-(メルカプトメチル)フェニル]メチル]フェニル]エチニル]安息香酸
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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:
C37 H30 O2 S3
Molecular formula furigana:
C37-H30-O2-S3
Molecular weight:
602.830
InChI:
InChI=1S/C37H30O2S3/c38-36(39)31-13-3-26(4-14-31)1-2-27-5-15-32(16-6-27)37(33-17-7-28(23-40)8-18-33,34-19-9-29(24-41)10-20-34)35-21-11-30(25-42)12-22-35/h3-22,40-42H,23-25H2,(H,38,39)
InChI key:
RYPMJQKTTMJLQI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(c1ccc(CS)cc1)(c1ccc(CS)cc1)c1ccc(CS)cc1
Systematic name (3):
4-[[4-[トリス[4-(メルカプトメチル)フェニル]メチル]フェニル]エチニル]安息香酸
4-[2-(4-{トリス[4-(スルファニルメチル)フェニル]メチル}フェニル)エチニル]安息香酸
4-[2-(4-{tris[4-(sulfanylmethyl)phenyl]methyl}phenyl)ethynyl]benzoic acid
Other name (1):
4-[[4-[Tris[4-(mercaptomethyl)phenyl]methyl]phenyl]ethynyl]benzoic acid
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