bismuth (1S,3R)-3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: bismuth (1S,3R)-3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylate Openeye Name: bismuth (1S,3R)-3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentanecarboxylate CAS Name: bismuth (1S,3R)-3-ethoxycarbonyl-2,2,3-trimethyl-1-cyclopentanecarboxylate IUPAC Name: bismuth (1S,3R)-3-ethoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylate Traditional Name: bismuth (1S,3R)-3-carbethoxy-2,2,3-trimethyl-cyclopentanecarboxylate Formula: C36H57BiO12 MolecularWeight: 890.81096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C1(C)C)C(=O)[O-])C.CCOC(=O)C1(CCC(C1(C)C)C(=O)[O-])C.CCOC(=O)C1(CCC(C1(C)C)C(=O)[O-])C.[Bi+3]

Isomeric SMILES

CCOC(=O)[C@@]1(CC[C@@H](C1(C)C)C(=O)[O-])C.CCOC(=O)[C@@]1(CC[C@@H](C1(C)C)C(=O)[O-])C.CCOC(=O)[C@@]1(CC[C@@H](C1(C)C)C(=O)[O-])C.[Bi+3]

InChI

InChI=1S/3C12H20O4.Bi/c3*1-5-16-10(15)12(4)7-6-8(9(13)14)11(12,2)3;/h3*8H,5-7H2,1-4H3,(H,13,14);/q;;;+3/p-3/t3*8-,12+;/m111./s1