2-chloranyl-4-(4-octadecyl-3-pentadecoxy-phenyl)sulfanyl-phenol

Systemtic Name: 2-chloranyl-4-(4-octadecyl-3-pentadecoxy-phenyl)sulfanyl-phenol Openeye Name: 2-chloro-4-(4-octadecyl-3-pentadecoxy-phenyl)sulfanyl-phenol CAS Name: 2-chloro-4-[(4-octadecyl-3-pentadecoxyphenyl)thio]phenol IUPAC Name: 2-chloro-4-(4-octadecyl-3-pentadecoxyphenyl)sulfanylphenol Traditional Name: 2-chloro-4-[(3-pentadecoxy-4-stearyl-phenyl)thio]phenol Formula: C45H75ClO2S MolecularWeight: 715.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)SC2=CC(=C(C=C2)O)Cl)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)SC2=CC(=C(C=C2)O)Cl)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H75ClO2S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-40-33-34-42(49-41-35-36-44(47)43(46)38-41)39-45(40)48-37-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h33-36,38-39,47H,3-32,37H2,1-2H3