2-methyl-3-methylsulfonyl-1-octyl-benzo[f]indole-4,9-dione

Systemtic Name: 2-methyl-3-methylsulfonyl-1-octyl-benzo[f]indole-4,9-dione Openeye Name: 2-methyl-3-methylsulfonyl-1-octyl-benzo[f]indole-4,9-dione CAS Name: 2-methyl-3-methylsulfonyl-1-octylbenzo[f]indole-4,9-dione IUPAC Name: 2-methyl-3-methylsulfonyl-1-octylbenzo[f]indole-4,9-dione Traditional Name: 3-mesyl-2-methyl-1-octyl-benz[f]indole-4,9-quinone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C)C

InChI

InChI=1S/C22H27NO4S/c1-4-5-6-7-8-11-14-23-15(2)22(28(3,26)27)18-19(23)21(25)17-13-10-9-12-16(17)20(18)24/h9-10,12-13H,4-8,11,14H2,1-3H3