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3-[bis(6-ethylsulfanyl-1H-indol-3-yl)methyl]benzoic acid

3-[bis(6-ethylsulfanyl-1H-indol-3-yl)methyl]benzoic acid

Systemtic Name:3-[bis(6-ethylsulfanyl-1H-indol-3-yl)methyl]benzoic acid
Openeye Name:3-[bis(6-ethylsulfanyl-1H-indol-3-yl)methyl]benzoic acid
CAS Name:3-[bis[6-(ethylthio)-1H-indol-3-yl]methyl]benzoic acid
IUPAC Name:3-[bis(6-ethylsulfanyl-1H-indol-3-yl)methyl]benzoic acid
Traditional Name:3-[bis[6-(ethylthio)-1H-indol-3-yl]methyl]benzoic acid
Formula: C28H26N2O2S2
MolecularWeight: 486.64824
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)C(=CN2)C(C3=CC=CC(=C3)C(=O)O)C4=CNC5=C4C=CC(=C5)SCC


Isomeric SMILES

CCSC1=CC2=C(C=C1)C(=CN2)C(C3=CC=CC(=C3)C(=O)O)C4=CNC5=C4C=CC(=C5)SCC


InChI

InChI=1S/C28H26N2O2S2/c1-3-33-19-8-10-21-23(15-29-25(21)13-19)27(17-6-5-7-18(12-17)28(31)32)24-16-30-26-14-20(34-4-2)9-11-22(24)26/h5-16,27,29-30H,3-4H2,1-2H3,(H,31,32)


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