disodium 3,4-di(butan-2-yl)naphthalene-1,2-disulfonate

Systemtic Name: disodium 3,4-di(butan-2-yl)naphthalene-1,2-disulfonate Openeye Name: disodium 3,4-disec-butylnaphthalene-1,2-disulfonate CAS Name: disodium 3,4-di(butan-2-yl)naphthalene-1,2-disulfonate IUPAC Name: disodium 3,4-di(butan-2-yl)naphthalene-1,2-disulfonate Traditional Name: disodium 3,4-disec-butylnaphthalene-1,2-disulfonate Formula: C18H22Na2O6S2 MolecularWeight: 444.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)CC.[Na+].[Na+]

Isomeric SMILES

CCC(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)CC.[Na+].[Na+]

InChI

InChI=1S/C18H24O6S2.2Na/c1-5-11(3)15-13-9-7-8-10-14(13)17(25(19,20)21)18(26(22,23)24)16(15)12(4)6-2;;/h7-12H,5-6H2,1-4H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2