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

Systemtic Name: disodium 3-(2-methylpropyl)naphthalene-1,2-disulfonate Openeye Name: disodium 3-isobutylnaphthalene-1,2-disulfonate CAS Name: disodium 3-(2-methylpropyl)naphthalene-1,2-disulfonate IUPAC Name: disodium 3-(2-methylpropyl)naphthalene-1,2-disulfonate Traditional Name: disodium 3-isobutylnaphthalene-1,2-disulfonate Formula: C14H14Na2O6S2 MolecularWeight: 388.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H16O6S2.2Na/c1-9(2)7-11-8-10-5-3-4-6-12(10)14(22(18,19)20)13(11)21(15,16)17;;/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2