3,7-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid

Systemtic Name: 3,7-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid Openeye Name: 3,7-bis(1,1-dimethylpropyl)naphthalene-1-sulfonic acid CAS Name: 3,7-bis(2-methylbutan-2-yl)-1-naphthalenesulfonic acid IUPAC Name: 3,7-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid Traditional Name: 3,7-ditert-amylnaphthalene-1-sulfonic acid Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C(C=C2C=C1)C(C)(C)CC)S(=O)(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C(C=C2C=C1)C(C)(C)CC)S(=O)(=O)O

InChI

InChI=1S/C20H28O3S/c1-7-19(3,4)15-10-9-14-11-16(20(5,6)8-2)13-18(17(14)12-15)24(21,22)23/h9-13H,7-8H2,1-6H3,(H,21,22,23)