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6-(4-aminophenyl)sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate

6-(4-aminophenyl)sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name:6-(4-aminophenyl)sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate
Openeye Name:6-(4-aminophenyl)sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoate
CAS Name:6-[(4-aminophenyl)thio]-5-hydroxy-6-(4-nonylphenyl)hexanoate
IUPAC Name:6-(4-aminophenyl)sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoate
Traditional Name:6-[(4-aminophenyl)thio]-5-hydroxy-6-(4-nonylphenyl)hexanoate
Formula: C27H38NO3S-
MolecularWeight: 456.66052
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)[O-])O)SC2=CC=C(C=C2)N


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)[O-])O)SC2=CC=C(C=C2)N


InChI

InChI=1S/C27H39NO3S/c1-2-3-4-5-6-7-8-10-21-13-15-22(16-14-21)27(25(29)11-9-12-26(30)31)32-24-19-17-23(28)18-20-24/h13-20,25,27,29H,2-12,28H2,1H3,(H,30,31)/p-1


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