sodium; 2-(2-azanylethylamino)ethanesulfonate; 2-benzofuran-1,3-dione; 1,6-diisocyanatohexane; hexane-1,6-diol

Systemtic Name: sodium; 2-(2-azanylethylamino)ethanesulfonate; 2-benzofuran-1,3-dione; 1,6-diisocyanatohexane; hexane-1,6-diol Openeye Name: sodium; 2-(2-aminoethylamino)ethanesulfonate; 1,6-diisocyanatohexane; hexane-1,6-diol; isobenzofuran-1,3-dione CAS Name: sodium; 2-(2-aminoethylamino)ethanesulfonate; 1,6-diisocyanatohexane; hexane-1,6-diol; isobenzofuran-1,3-dione IUPAC Name: sodium; 2-(2-aminoethylamino)ethanesulfonate; 2-benzofuran-1,3-dione; 1,6-diisocyanatohexane; hexane-1,6-diol Traditional Name: sodium; 2-(2-aminoethylamino)ethanesulfonate; 1,6-diisocyanatohexane; hexane-1,6-diol; phthalic anhydride Formula: C26H41N4NaO10S MolecularWeight: 624.67931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CNCCS(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CNCCS(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C8H12N2O2.C8H4O3.C6H14O2.C4H12N2O3S.Na/c11-7-9-5-3-1-2-4-6-10-8-12;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5-3-1-2-4-6-8;5-1-2-6-3-4-10(7,8)9;/h1-6H2;1-4H;7-8H,1-6H2;6H,1-5H2,(H,7,8,9);/q;;;;+1/p-1