disodium 3,4-dibutylnaphthalene-1,2-disulfonate

Systemtic Name: disodium 3,4-dibutylnaphthalene-1,2-disulfonate Openeye Name: disodium 3,4-dibutylnaphthalene-1,2-disulfonate CAS Name: disodium 3,4-dibutylnaphthalene-1,2-disulfonate IUPAC Name: disodium 3,4-dibutylnaphthalene-1,2-disulfonate Traditional Name: disodium 3,4-dibutylnaphthalene-1,2-disulfonate Formula: C18H22Na2O6S2 MolecularWeight: 444.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCC.[Na+].[Na+]

Isomeric SMILES

CCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCC.[Na+].[Na+]

InChI

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