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bismuth; cyclohexanethiolate; 3-(6-methylheptylsulfanyl)propanoic acid

bismuth; cyclohexanethiolate; 3-(6-methylheptylsulfanyl)propanoic acid

Systemtic Name:bismuth; cyclohexanethiolate; 3-(6-methylheptylsulfanyl)propanoic acid
Openeye Name:bismuth; cyclohexanethiolate; 3-(6-methylheptylsulfanyl)propanoic acid
CAS Name:bismuth; cyclohexanethiolate; 3-(6-methylheptylthio)propanoic acid
IUPAC Name:bismuth; cyclohexanethiolate; 3-(6-methylheptylsulfanyl)propanoic acid
Traditional Name:bismuth; cyclohexanethiolate; 3-(6-methylheptylthio)propionic acid
Formula: C40H77BiO4S5
MolecularWeight: 991.34236
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCSCCC(=O)O.CC(C)CCCCCSCCC(=O)O.C1CCC(CC1)[S-].C1CCC(CC1)[S-].C1CCC(CC1)[S-].[Bi+3]


Isomeric SMILES

CC(C)CCCCCSCCC(=O)O.CC(C)CCCCCSCCC(=O)O.C1CCC(CC1)[S-].C1CCC(CC1)[S-].C1CCC(CC1)[S-].[Bi+3]


InChI

InChI=1S/2C11H22O2S.3C6H12S.Bi/c2*1-10(2)6-4-3-5-8-14-9-7-11(12)13;3*7-6-4-2-1-3-5-6;/h2*10H,3-9H2,1-2H3,(H,12,13);3*6-7H,1-5H2;/q;;;;;+3/p-3


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