3-(2-aminophenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one

Systemtic Name: 3-(2-aminophenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one Openeye Name: 3-(2-aminophenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one CAS Name: 3-[(2-aminophenyl)thio]-2-octoxy-7-benzo[b]phenalenone IUPAC Name: 3-(2-aminophenyl)sulfanyl-2-octoxybenzo[b]phenalen-7-one Traditional Name: 3-[(2-aminophenyl)thio]-2-octoxy-benzo[b]phenalen-7-one Formula: C31H31NO2S MolecularWeight: 481.64834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC=C5N

Isomeric SMILES

CCCCCCCCOC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC=C5N

InChI

InChI=1S/C31H31NO2S/c1-2-3-4-5-6-11-19-34-27-20-25-21-13-7-8-14-22(21)30(33)23-15-12-16-24(29(23)25)31(27)35-28-18-10-9-17-26(28)32/h7-10,12-18,20H,2-6,11,19,32H2,1H3