bis(4-nonylphenyl) benzene-1,3-disulfonate

Systemtic Name: bis(4-nonylphenyl) benzene-1,3-disulfonate Openeye Name: bis(4-nonylphenyl) benzene-1,3-disulfonate CAS Name: benzene-1,3-disulfonic acid bis(4-nonylphenyl) ester IUPAC Name: bis(4-nonylphenyl) benzene-1,3-disulfonate Traditional Name: benzene-1,3-disulfonic acid bis(4-nonylphenyl) ester Formula: C36H50O6S2 MolecularWeight: 642.9086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C36H50O6S2/c1-3-5-7-9-11-13-15-18-31-22-26-33(27-23-31)41-43(37,38)35-20-17-21-36(30-35)44(39,40)42-34-28-24-32(25-29-34)19-16-14-12-10-8-6-4-2/h17,20-30H,3-16,18-19H2,1-2H3