PubChemLite - 3-[3-[3-[3-[4-hexanoyloxybutyl-methyl-[3-[methyl-bis[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]silyl]propyl]silyl]propyl-methyl-[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]silyl]propyl-methyl-[3-(3-sulfopropylsulfanyl)propyl]silyl]propylsulfanyl]propane-1-sulfonic acid (C83H180O26S16Si7)

Structural Information

Molecular Formula

SMILES

CCCCCC(=O)OCCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O

InChI

InChI=1S/C83H180O26S16Si7/c1-9-10-11-36-83(84)109-37-12-13-62-126(2,71-30-77-131(7,79-32-73-127(3,63-22-46-110-38-14-54-118(85,86)87)64-23-47-111-39-15-55-119(88,89)90)80-33-74-128(4,65-24-48-112-40-16-56-120(91,92)93)66-25-49-113-41-17-57-121(94,95)96)72-31-78-132(8,81-34-75-129(5,67-26-50-114-42-18-58-122(97,98)99)68-27-51-115-43-19-59-123(100,101)102)82-35-76-130(6,69-28-52-116-44-20-60-124(103,104)105)70-29-53-117-45-21-61-125(106,107)108/h9-82H2,1-8H3,(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)

InChIKey

MALFTAGUUBVBNB-UHFFFAOYSA-N

Compound name

3-[3-[3-[3-[4-hexanoyloxybutyl-methyl-[3-[methyl-bis[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]silyl]propyl]silyl]propyl-methyl-[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]silyl]propyl-methyl-[3-(3-sulfopropylsulfanyl)propyl]silyl]propylsulfanyl]propane-1-sulfonic acid

Related CIDs

Adduct	m/z	Predicted CCS (Å²)
[M+H]+	2301.6753	275.6
[M+Na]+	2323.6572	280.6
[M-H]-	2299.6607	277.8
[M+NH4]+	2318.7018	278.2
[M+K]+	2339.6312	276.3
[M+H-H2O]+	2283.6653	276.5
[M+HCOO]-	2345.6662	279.0
[M+CH3COO]-	2359.6819	271.8
[M+Na-2H]-	2321.6427	285.3
[M]+	2300.6675	284.0
[M]-	2300.6685	284.0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe