2-[[3,5-bis(chloranyl)phenyl]amino]-2-thianthren-1-yl-ethanoic acid

Systemtic Name: 2-[[3,5-bis(chloranyl)phenyl]amino]-2-thianthren-1-yl-ethanoic acid Openeye Name: 2-(3,5-dichloroanilino)-2-thianthren-1-yl-acetic acid CAS Name: 2-(3,5-dichloroanilino)-2-(1-thianthrenyl)acetic acid IUPAC Name: 2-(3,5-dichloroanilino)-2-thianthren-1-ylacetic acid Traditional Name: 2-(3,5-dichloroanilino)-2-thianthren-1-yl-acetic acid Formula: C20H13Cl2NO2S2 MolecularWeight: 434.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC3=CC=CC(=C3S2)C(C(=O)O)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)SC3=CC=CC(=C3S2)C(C(=O)O)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H13Cl2NO2S2/c21-11-8-12(22)10-13(9-11)23-18(20(24)25)14-4-3-7-17-19(14)27-16-6-2-1-5-15(16)26-17/h1-10,18,23H,(H,24,25)