4-tert-butylbenzene-1,2,3-trisulfonic acid

Systemtic Name: 4-tert-butylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-tert-butylbenzene-1,2,3-trisulfonic acid CAS Name: 4-tert-butylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-tert-butylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-tert-butylbenzene-1,2,3-trisulfonic acid Formula: C10H14O9S3 MolecularWeight: 374.40776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H14O9S3/c1-10(2,3)6-4-5-7(20(11,12)13)9(22(17,18)19)8(6)21(14,15)16/h4-5H,1-3H3,(H,11,12,13)(H,14,15,16)(H,17,18,19)