3-nonyl-1-phenoxy-dodecane-1-sulfonic acid

Systemtic Name: 3-nonyl-1-phenoxy-dodecane-1-sulfonic acid Openeye Name: 3-nonyl-1-phenoxy-dodecane-1-sulfonic acid CAS Name: 3-nonyl-1-phenoxy-1-dodecanesulfonic acid IUPAC Name: 3-nonyl-1-phenoxydodecane-1-sulfonic acid Traditional Name: 3-nonyl-1-phenoxy-dodecane-1-sulfonic acid Formula: C27H48O4S MolecularWeight: 468.73262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)CC(OC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)CC(OC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C27H48O4S/c1-3-5-7-9-11-13-16-20-25(21-17-14-12-10-8-6-4-2)24-27(32(28,29)30)31-26-22-18-15-19-23-26/h15,18-19,22-23,25,27H,3-14,16-17,20-21,24H2,1-2H3,(H,28,29,30)