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

Systemtic Name: 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid; cyclohexanamine Openeye Name: 2,3-bis(1,1-dimethylpropyl)naphthalene-1-sulfonic acid; cyclohexanamine CAS Name: 2,3-bis(2-methylbutan-2-yl)-1-naphthalenesulfonic acid; cyclohexanamine IUPAC Name: 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid; cyclohexanamine Traditional Name: cyclohexylamine; 2,3-ditert-amylnaphthalene-1-sulfonic acid Formula: C26H41NO3S MolecularWeight: 447.67364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)CC)S(=O)(=O)O.C1CCC(CC1)N

Isomeric SMILES

CCC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)CC)S(=O)(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C20H28O3S.C6H13N/c1-7-19(3,4)16-13-14-11-9-10-12-15(14)18(24(21,22)23)17(16)20(5,6)8-2;7-6-4-2-1-3-5-6/h9-13H,7-8H2,1-6H3,(H,21,22,23);6H,1-5,7H2