3-chloranyl-7-[2-(2-chloranyl-3,4-dimethoxy-phenyl)prop-2-enoylamino]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3-chloranyl-7-[2-(2-chloranyl-3,4-dimethoxy-phenyl)prop-2-enoylamino]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3-chloro-7-[2-(2-chloro-3,4-dimethoxy-phenyl)prop-2-enoylamino]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3-chloro-7-[[2-(2-chloro-3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3-chloro-7-[2-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoylamino]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3-chloro-7-[[2-(2-chloro-3,4-dimethoxy-phenyl)acryloyl]amino]dibenzothiophene-2,8-dicarboxylic acid Formula: C25H17Cl2NO7S MolecularWeight: 546.37598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=C)C(=O)NC2=C(C=C3C4=CC(=C(C=C4SC3=C2)Cl)C(=O)O)C(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=C)C(=O)NC2=C(C=C3C4=CC(=C(C=C4SC3=C2)Cl)C(=O)O)C(=O)O)Cl)OC

InChI

InChI=1S/C25H17Cl2NO7S/c1-10(11-4-5-18(34-2)22(35-3)21(11)27)23(29)28-17-9-20-13(7-15(17)25(32)33)12-6-14(24(30)31)16(26)8-19(12)36-20/h4-9H,1H2,2-3H3,(H,28,29)(H,30,31)(H,32,33)