2-[[4-(6-sulfanylhexoxy)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(6-sulfanylhexoxy)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(6-sulfanylhexoxy)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(6-mercaptohexoxy)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(6-sulfanylhexoxy)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(6-mercaptohexoxy)benzyl]isoindoline-1,3-quinone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)OCCCCCCS

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)OCCCCCCS

InChI

InChI=1S/C21H23NO3S/c23-20-18-7-3-4-8-19(18)21(24)22(20)15-16-9-11-17(12-10-16)25-13-5-1-2-6-14-26/h3-4,7-12,26H,1-2,5-6,13-15H2