2-dodecyl-4-(3-dodecyl-4-sulfo-phenoxy)benzenesulfonic acid

Systemtic Name: 2-dodecyl-4-(3-dodecyl-4-sulfo-phenoxy)benzenesulfonic acid Openeye Name: 2-dodecyl-4-(3-dodecyl-4-sulfo-phenoxy)benzenesulfonic acid CAS Name: 2-dodecyl-4-(3-dodecyl-4-sulfophenoxy)benzenesulfonic acid IUPAC Name: 2-dodecyl-4-(3-dodecyl-4-sulfophenoxy)benzenesulfonic acid Traditional Name: 2-lauryl-4-(3-lauryl-4-sulfo-phenoxy)besylic acid Formula: C36H58O7S2 MolecularWeight: 666.97152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1)OC2=CC(=C(C=C2)S(=O)(=O)O)CCCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)OC2=CC(=C(C=C2)S(=O)(=O)O)CCCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-31-29-33(25-27-35(31)44(37,38)39)43-34-26-28-36(45(40,41)42)32(30-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3,(H,37,38,39)(H,40,41,42)