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

Systemtic Name: 2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfanyl-heptane-2-sulfonic acid Openeye Name: 2-phenyl-7-(6-phenyl-6-sulfo-heptyl)sulfanyl-heptane-2-sulfonic acid CAS Name: 2-phenyl-7-[(6-phenyl-6-sulfoheptyl)thio]-2-heptanesulfonic acid IUPAC Name: 2-phenyl-7-(6-phenyl-6-sulfoheptyl)sulfanylheptane-2-sulfonic acid Traditional Name: 2-phenyl-7-[(6-phenyl-6-sulfo-heptyl)thio]heptane-2-sulfonic acid Formula: C26H38O6S3 MolecularWeight: 542.77132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCSCCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(CCCCCSCCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C26H38O6S3/c1-25(34(27,28)29,23-15-7-3-8-16-23)19-11-5-13-21-33-22-14-6-12-20-26(2,35(30,31)32)24-17-9-4-10-18-24/h3-4,7-10,15-18H,5-6,11-14,19-22H2,1-2H3,(H,27,28,29)(H,30,31,32)