Molecule ID: 84746

IUPAC Name: 2,6-ditert-butylnaphthalene-1-sulfonic acid

Description: The molecule is a naphthalenesulfonic acid that is naphthalene-1-sulfonic acid which is substituted by tert-butyl groups at positions 2 and 6. It has a role as an antitussive. It is a conjugate acid of a dibunate.

SMILES: CC(C)(C)c1ccc2c(S(=O)(=O)O)c(C(C)(C)C)ccc2c1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 62.8 Ų
- LogP: 5.3