6-methyl-8-(2-methylphenyl)-1-phosphono-octane-1-sulfonic acid

Systemtic Name: 6-methyl-8-(2-methylphenyl)-1-phosphono-octane-1-sulfonic acid Openeye Name: 6-methyl-8-(o-tolyl)-1-phosphono-octane-1-sulfonic acid CAS Name: 6-methyl-8-(2-methylphenyl)-1-phosphono-1-octanesulfonic acid IUPAC Name: 6-methyl-8-(2-methylphenyl)-1-phosphonooctane-1-sulfonic acid Traditional Name: 6-methyl-8-(o-tolyl)-1-phosphono-octane-1-sulfonic acid Formula: C16H27O6PS MolecularWeight: 378.420741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C)CCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC(C)CCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H27O6PS/c1-13(11-12-15-9-5-4-8-14(15)2)7-3-6-10-16(23(17,18)19)24(20,21)22/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H2,17,18,19)(H,20,21,22)