4,6-bis(chloranyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)-2-thiophen-3-yl-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)-2-thiophen-3-yl-indole-2-carboxylic acid Openeye Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(3-thienyl)indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(3-thiophenyl)-2-indolecarboxylic acid IUPAC Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-thiophen-3-ylindole-2-carboxylic acid Traditional Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(3-thienyl)indole-2-carboxylic acid Formula: C16H9Cl2NO4S MolecularWeight: 382.21796

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=CC(=CC2=NC1(C3=CSC=C3)C(=O)O)Cl)Cl)C(=O)O

Isomeric SMILES

C=C(C1=C2C(=CC(=CC2=NC1(C3=CSC=C3)C(=O)O)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H9Cl2NO4S/c1-7(14(20)21)13-12-10(18)4-9(17)5-11(12)19-16(13,15(22)23)8-2-3-24-6-8/h2-6H,1H2,(H,20,21)(H,22,23)