benzoic acid; 1,1-dicyclopentylcyclopentane

Systemtic Name: benzoic acid; 1,1-dicyclopentylcyclopentane Openeye Name: benzoic acid; 1,1-dicyclopentylcyclopentane CAS Name: benzoic acid; 1,1-dicyclopentylcyclopentane IUPAC Name: benzoic acid; 1,1-dicyclopentylcyclopentane Traditional Name: benzoic acid; 1,1-dicyclopentylcyclopentane Formula: C57H62O12 MolecularWeight: 939.09498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CCCC2)C3CCCC3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCC(C1)C2(CCCC2)C3CCCC3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H26.6C7H6O2/c1-2-8-13(7-1)15(11-5-6-12-15)14-9-3-4-10-14;6*8-7(9)6-4-2-1-3-5-6/h13-14H,1-12H2;6*1-5H,(H,8,9)