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

Systemtic Name: 3-decyl-4-(2-decyl-4-sulfo-phenoxy)benzenesulfonic acid Openeye Name: 3-decyl-4-(2-decyl-4-sulfo-phenoxy)benzenesulfonic acid CAS Name: 3-decyl-4-(2-decyl-4-sulfophenoxy)benzenesulfonic acid IUPAC Name: 3-decyl-4-(2-decyl-4-sulfophenoxy)benzenesulfonic acid Traditional Name: 3-decyl-4-(2-decyl-4-sulfo-phenoxy)besylic acid Formula: C32H50O7S2 MolecularWeight: 610.8652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)O)OC2=C(C=C(C=C2)S(=O)(=O)O)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)O)OC2=C(C=C(C=C2)S(=O)(=O)O)CCCCCCCCCC

InChI

InChI=1S/C32H50O7S2/c1-3-5-7-9-11-13-15-17-19-27-25-29(40(33,34)35)21-23-31(27)39-32-24-22-30(41(36,37)38)26-28(32)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38)