disodium 3,7-dipentylcyclooctane-1,2-dicarboxylate

Systemtic Name: disodium 3,7-dipentylcyclooctane-1,2-dicarboxylate Openeye Name: disodium 3,7-dipentylcyclooctane-1,2-dicarboxylate CAS Name: disodium 3,7-dipentylcyclooctane-1,2-dicarboxylate IUPAC Name: disodium 3,7-dipentylcyclooctane-1,2-dicarboxylate Traditional Name: disodium 3,7-diamylcyclooctane-1,2-dicarboxylate Formula: C20H34Na2O4 MolecularWeight: 384.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(C(C(C1)C(=O)[O-])C(=O)[O-])CCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCC1CCCC(C(C(C1)C(=O)[O-])C(=O)[O-])CCCCC.[Na+].[Na+]

InChI

InChI=1S/C20H36O4.2Na/c1-3-5-7-10-15-11-9-13-16(12-8-6-4-2)18(20(23)24)17(14-15)19(21)22;;/h15-18H,3-14H2,1-2H3,(H,21,22)(H,23,24);;/q;2*+1/p-2