disodium 1-ethylperoxy-4-hexadecanoyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: disodium 1-ethylperoxy-4-hexadecanoyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: disodium 1-ethylperoxy-4-hexadecanoyloxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: disodium 1-ethyldioxy-1,4-dioxo-4-(1-oxohexadecoxy)-2-butanesulfonic acid IUPAC Name: disodium 1-ethylperoxy-4-hexadecanoyloxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: disodium 1-ethylperoxy-4-hexadecanoyloxy-1,4-diketo-butane-2-sulfonic acid Formula: C22H40Na2O9S+2 MolecularWeight: 526.59214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(=O)CC(C(=O)OOCC)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(=O)CC(C(=O)OOCC)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C22H40O9S.2Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)30-21(24)18-19(32(26,27)28)22(25)31-29-4-2;;/h19H,3-18H2,1-2H3,(H,26,27,28);;/q;2*+1