2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfinyl-heptane-2-sulfonic acid

Systemtic Name: 2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfinyl-heptane-2-sulfonic acid Openeye Name: 2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfinyl-heptane-2-sulfonic acid CAS Name: 2-phenyl-7-(6-phenyl-6-sulfoheptyl)sulfinyl-2-heptanesulfonic acid IUPAC Name: 2-phenyl-7-(6-phenyl-6-sulfoheptyl)sulfinylheptane-2-sulfonic acid Traditional Name: 2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfinyl-heptane-2-sulfonic acid Formula: C26H38O7S3 MolecularWeight: 558.77072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCS(=O)CCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(CCCCCS(=O)CCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C26H38O7S3/c1-25(35(28,29)30,23-15-7-3-8-16-23)19-11-5-13-21-34(27)22-14-6-12-20-26(2,36(31,32)33)24-17-9-4-10-18-24/h3-4,7-10,15-18H,5-6,11-14,19-22H2,1-2H3,(H,28,29,30)(H,31,32,33)