3,6-ditert-butylnaphthalene-1-sulfonic acid; 3,7-ditert-butylnaphthalene-1-sulfonic acid

Systemtic Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 3,7-ditert-butylnaphthalene-1-sulfonic acid Openeye Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 3,7-ditert-butylnaphthalene-1-sulfonic acid CAS Name: 3,6-ditert-butyl-1-naphthalenesulfonic acid; 3,7-ditert-butyl-1-naphthalenesulfonic acid IUPAC Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 3,7-ditert-butylnaphthalene-1-sulfonic acid Traditional Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 3,7-ditert-butylnaphthalene-1-sulfonic acid Formula: C36H48O6S2 MolecularWeight: 640.89272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H24O3S/c1-17(2,3)13-7-8-15-12(9-13)10-14(18(4,5)6)11-16(15)22(19,20)21;1-17(2,3)13-8-7-12-9-14(18(4,5)6)11-16(15(12)10-13)22(19,20)21/h2*7-11H,1-6H3,(H,19,20,21)