2,5-bis(oxidanyl)-4-pentadecan-2-yl-benzenesulfonic acid

Systemtic Name: 2,5-bis(oxidanyl)-4-pentadecan-2-yl-benzenesulfonic acid Openeye Name: 2,5-dihydroxy-4-(1-methyltetradecyl)benzenesulfonic acid CAS Name: 2,5-dihydroxy-4-pentadecan-2-ylbenzenesulfonic acid IUPAC Name: 2,5-dihydroxy-4-pentadecan-2-ylbenzenesulfonic acid Traditional Name: 2,5-dihydroxy-4-(1-methyltetradecyl)besylic acid Formula: C21H36O5S MolecularWeight: 400.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)O)O

InChI

InChI=1S/C21H36O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)18-15-20(23)21(16-19(18)22)27(24,25)26/h15-17,22-23H,3-14H2,1-2H3,(H,24,25,26)