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disodium 3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonate

disodium 3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonate

Systemtic Name:disodium 3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonate
Openeye Name:disodium 3,4-diisobutylnaphthalene-1,2-disulfonate
CAS Name:disodium 3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonate
IUPAC Name:disodium 3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonate
Traditional Name:disodium 3,4-diisobutylnaphthalene-1,2-disulfonate
Formula: C18H22Na2O6S2
MolecularWeight: 444.47322
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CC(C)C.[Na+].[Na+]


Isomeric SMILES

CC(C)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CC(C)C.[Na+].[Na+]


InChI

InChI=1S/C18H24O6S2.2Na/c1-11(2)9-15-13-7-5-6-8-14(13)17(25(19,20)21)18(26(22,23)24)16(15)10-12(3)4;;/h5-8,11-12H,9-10H2,1-4H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


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