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2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylsulfanyl)butyl]indol-1-ium

2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylsulfanyl)butyl]indol-1-ium

Systemtic Name:2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylsulfanyl)butyl]indol-1-ium
Openeye Name:2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylsulfanyl)butyl]indol-1-ium
CAS Name:4-(2,3,3-trimethyl-5-phenyl-1-indol-1-iumyl)-1-butanesulfenic acid
IUPAC Name:2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylsulfanyl)butyl]indol-1-ium
Traditional Name:2,3,3-trimethyl-5-phenyl-1-[4-(trioxidanylthio)butyl]indol-1-ium
Formula: C21H26NO3S+
MolecularWeight: 372.50104
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=CC=CC=C3)CCCCSOOO


Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=CC=CC=C3)CCCCSOOO


InChI

InChI=1S/C21H25NO3S/c1-16-21(2,3)19-15-18(17-9-5-4-6-10-17)11-12-20(19)22(16)13-7-8-14-26-25-24-23/h4-6,9-12,15H,7-8,13-14H2,1-3H3/p+1


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