4-[1-[[4-(9-chloranyldibenzothiophen-4-yl)phenyl]methyl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[[4-(9-chloranyldibenzothiophen-4-yl)phenyl]methyl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[[4-(9-chlorodibenzothiophen-4-yl)phenyl]methyl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[[4-(9-chloro-4-dibenzothiophenyl)phenyl]methyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[[4-(9-chlorodibenzothiophen-4-yl)phenyl]methyl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-[4-(9-chlorodibenzothiophen-4-yl)benzyl]indol-3-yl]-4-keto-butyric acid Formula: C31H22ClNO3S MolecularWeight: 524.02928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C4=CC=CC5=C4SC6=C5C(=CC=C6)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C4=CC=CC5=C4SC6=C5C(=CC=C6)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C31H22ClNO3S/c32-25-8-4-10-28-30(25)23-7-3-6-21(31(23)37-28)20-13-11-19(12-14-20)17-33-18-24(27(34)15-16-29(35)36)22-5-1-2-9-26(22)33/h1-14,18H,15-17H2,(H,35,36)