barium(2+); 1,4-bis(oxidanylidene)-1,4-di(tridecoxy)butane-2-sulfonic acid

Systemtic Name: barium(2+); 1,4-bis(oxidanylidene)-1,4-di(tridecoxy)butane-2-sulfonic acid Openeye Name: barium(2+); 1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonic acid CAS Name: barium(2+); 1,4-dioxo-1,4-di(tridecoxy)-2-butanesulfonic acid IUPAC Name: barium(2+); 1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonic acid Traditional Name: barium(2+); 1,4-diketo-1,4-di(tridecoxy)butane-2-sulfonic acid Formula: C30H58BaO7S+2 MolecularWeight: 700.16932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)O.[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)O.[Ba+2]

InChI

InChI=1S/C30H58O7S.Ba/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+2