disodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; hexanedioate; nonanedioate

Systemtic Name: disodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; hexanedioate; nonanedioate Openeye Name: disodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; hexanedioate; nonanedioate CAS Name: disodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; hexanedioate; nonanedioate IUPAC Name: disodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; hexanedioate; nonanedioate Traditional Name: disodium; adipate; azelaate; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C55H96Na2O22S2-4 MolecularWeight: 1219.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C(CCCC(=O)[O-])CCCC(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C(CCCC(=O)[O-])CCCC(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C20H38O7S.C9H16O4.C6H10O4.2Na/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;10-8(11)6-4-2-1-3-5-7-9(12)13;7-5(8)3-1-2-4-6(9)10;;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);1-7H2,(H,10,11)(H,12,13);1-4H2,(H,7,8)(H,9,10);;/q;;;;2*+1/p-6