4-(3-octadecyl-5-tridecylsulfonyl-phenyl)sulfanylphenol

Systemtic Name: 4-(3-octadecyl-5-tridecylsulfonyl-phenyl)sulfanylphenol Openeye Name: 4-(3-octadecyl-5-tridecylsulfonyl-phenyl)sulfanylphenol CAS Name: 4-[(3-octadecyl-5-tridecylsulfonylphenyl)thio]phenol IUPAC Name: 4-(3-octadecyl-5-tridecylsulfonylphenyl)sulfanylphenol Traditional Name: 4-[(3-stearyl-5-tridecylsulfonyl-phenyl)thio]phenol Formula: C43H72O3S2 MolecularWeight: 701.15998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)S(=O)(=O)CCCCCCCCCCCCC)SC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)S(=O)(=O)CCCCCCCCCCCCC)SC2=CC=C(C=C2)O

InChI

InChI=1S/C43H72O3S2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-39-36-42(47-41-33-31-40(44)32-34-41)38-43(37-39)48(45,46)35-29-27-25-23-21-14-12-10-8-6-4-2/h31-34,36-38,44H,3-30,35H2,1-2H3