sodium 2,3,4,5,6-pentatert-butylbenzenethiol

Systemtic Name: sodium 2,3,4,5,6-pentatert-butylbenzenethiol Openeye Name: sodium 2,3,4,5,6-pentatert-butylbenzenethiol CAS Name: sodium 2,3,4,5,6-pentatert-butylbenzenethiol IUPAC Name: sodium 2,3,4,5,6-pentatert-butylbenzenethiol Traditional Name: sodium 2,3,4,5,6-pentatert-butylbenzenethiol Formula: C26H46NaS+ MolecularWeight: 413.69821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1C(C)(C)C)C(C)(C)C)S)C(C)(C)C)C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1C(C)(C)C)C(C)(C)C)S)C(C)(C)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C26H46S.Na/c1-22(2,3)16-17(23(4,5)6)19(25(10,11)12)21(27)20(26(13,14)15)18(16)24(7,8)9;/h27H,1-15H3;/q;+1