2,2-bis(hydroxymethyl)propane-1,3-diol; cyclohexene-1-carboxylic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyclohexene-1-carboxylic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyclohexene-1-carboxylic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 1-cyclohexenecarboxylic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyclohexene-1-carboxylic acid Traditional Name: cyclohexene-1-carboxylic acid; 2,2-dimethylolpropane-1,3-diol Formula: C71H116O28 MolecularWeight: 1417.66394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

Isomeric SMILES

C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C1CCC(=CC1)C(=O)O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/8C7H10O2.3C5H12O4/c8*8-7(9)6-4-2-1-3-5-6;3*6-1-5(2-7,3-8)4-9/h8*4H,1-3,5H2,(H,8,9);3*6-9H,1-4H2