cyclododecane; 2-(phenylmethyl)propanedioic acid

Systemtic Name: cyclododecane; 2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzylpropanedioic acid; cyclododecane CAS Name: cyclododecane; 2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzylpropanedioic acid; cyclododecane Traditional Name: 2-benzylmalonic acid; cyclododecane Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCCCCCC1.C1=CC=C(C=C1)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1CCCCCCCCCCC1.C1=CC=C(C=C1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H24.C10H10O4/c1-2-4-6-8-10-12-11-9-7-5-3-1;11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-12H2;1-5,8H,6H2,(H,11,12)(H,13,14)