bicyclo[2.2.1]hept-2-ene; 2-(2-methyl-1-oxidanyl-propan-2-yl)-3-oxidanylidene-oxirane-2-carboxylic acid

Systemtic Name: bicyclo[2.2.1]hept-2-ene; 2-(2-methyl-1-oxidanyl-propan-2-yl)-3-oxidanylidene-oxirane-2-carboxylic acid Openeye Name: bicyclo[2.2.1]hept-2-ene; 2-(2-hydroxy-1,1-dimethyl-ethyl)-3-oxo-oxirane-2-carboxylic acid CAS Name: bicyclo[2.2.1]hept-2-ene; 2-(1-hydroxy-2-methylpropan-2-yl)-3-oxo-2-oxiranecarboxylic acid IUPAC Name: bicyclo[2.2.1]hept-2-ene; 2-(1-hydroxy-2-methylpropan-2-yl)-3-oxooxirane-2-carboxylic acid Traditional Name: bicyclo[2.2.1]hept-2-ene; 2-(2-hydroxy-1,1-dimethyl-ethyl)-3-keto-oxirane-2-carboxylic acid Formula: C133H190O80 MolecularWeight: 3068.8837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.C1CC2CC1C=C2.C1CC2CC1C=C2.C1CC2CC1C=C2

Isomeric SMILES

CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.CC(C)(CO)C1(C(=O)O1)C(=O)O.C1CC2CC1C=C2.C1CC2CC1C=C2.C1CC2CC1C=C2

InChI

InChI=1S/16C7H10O5.3C7H10/c16*1-6(2,3-8)7(4(9)10)5(11)12-7;3*1-2-7-4-3-6(1)5-7/h16*8H,3H2,1-2H3,(H,9,10);3*1-2,6-7H,3-5H2