Chem
J-GLOBAL ID:200907000103913381   Nikkaji number:J171.983A

Bis[3,4-di(15-heptadecenyloxycarbonyl)benzenesulfonic acid]calcium salt

ビス[3,4-ジ(15-ヘプタデセニルオキシカルボニル)ベンゼンスルホン酸]カルシウム
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: C84H138CaO14S2
Molecular formula furigana: C84-H138-CA-O14-S2
Molecular weight: 1476.210
InChI: InChI=1S/2C42H70O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-48-41(43)39-34-33-38(50(45,46)47)37-40(39)42(44)49-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-6,33-34,37H,7-32,35-36H2,1-2H3,(H,45,46,47);/q;;+2/p-2
InChI key: MNVMAALRTPICTM-UHFFFAOYSA-L
SMILES: CC=CCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCCCCCCCCC=CC)S(=O)(=O)O[Ca]OS(=O)(=O)c1ccc(C(=O)OCCCCCCCCCCCCCCC=CC)c(c1)C(=O)OCCCCCCCCCCCCCCC=CC
Systematic name  (3):
  • ビス[3,4-ジ(15-ヘプタデセニルオキシカルボニル)ベンゼンスルホン酸]カルシウム
  • 1,2-ビス(ヘプタデカ-15-エン-1-イル) 4-({[({3,4-ビス[(ヘプタデカ-15-エン-1-イルオキシ)カルボニル]ベンゼンスルホニル}オキシ)カルシオ]オキシ}スルホニル)ベンゼン-1,2-ジカルボキシラート
  • 1,2-bis(heptadec-15-en-1-yl) 4-({[({3,4-bis[(heptadec-15-en-1-yloxy)carbonyl]benzenesulfonyl}oxy)calcio]oxy}sulfonyl)benzene-1,2-dicarboxylate
Other name (1):
  • Bis[3,4-di(15-heptadecenyloxycarbonyl)benzenesulfonic acid]calcium salt
Regulation number (1):
  • (3)-2136
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