4-[2-[2-(4-hydroxyphenyl)-4-octoxy-phenyl]sulfonyl-5-octoxy-phenyl]phenol

Systemtic Name: 4-[2-[2-(4-hydroxyphenyl)-4-octoxy-phenyl]sulfonyl-5-octoxy-phenyl]phenol Openeye Name: 4-[2-[2-(4-hydroxyphenyl)-4-octoxy-phenyl]sulfonyl-5-octoxy-phenyl]phenol CAS Name: 4-[2-[2-(4-hydroxyphenyl)-4-octoxyphenyl]sulfonyl-5-octoxyphenyl]phenol IUPAC Name: 4-[2-[2-(4-hydroxyphenyl)-4-octoxyphenyl]sulfonyl-5-octoxyphenyl]phenol Traditional Name: 4-[2-[2-(4-hydroxyphenyl)-4-octoxy-phenyl]sulfonyl-5-octoxy-phenyl]phenol Formula: C40H50O6S MolecularWeight: 658.8864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OCCCCCCCC)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OCCCCCCCC)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C40H50O6S/c1-3-5-7-9-11-13-27-45-35-23-25-39(37(29-35)31-15-19-33(41)20-16-31)47(43,44)40-26-24-36(46-28-14-12-10-8-6-4-2)30-38(40)32-17-21-34(42)22-18-32/h15-26,29-30,41-42H,3-14,27-28H2,1-2H3