disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate

Systemtic Name: disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate Openeye Name: disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate CAS Name: disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate IUPAC Name: disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate Traditional Name: disodium 3,7-ditert-butylnaphthalene-1,5-disulfonate Formula: C18H22Na2O6S2 MolecularWeight: 444.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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