6-chloranyl-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-phenyl-indole-2-carboxylic acid

Systemtic Name: 6-chloranyl-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-phenyl-indole-2-carboxylic acid Openeye Name: 6-chloro-3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-phenyl-indole-2-carboxylic acid CAS Name: 6-chloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-phenyl-2-indolecarboxylic acid IUPAC Name: 6-chloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-phenylindole-2-carboxylic acid Traditional Name: 6-chloro-3-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-phenyl-indole-2-carboxylic acid Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=C3C=CC(=CC3=N2)Cl)C=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=C3C=CC(=CC3=N2)Cl)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C18H12ClNO4/c19-12-6-7-13-14(8-9-16(21)22)18(17(23)24,20-15(13)10-12)11-4-2-1-3-5-11/h1-10H,(H,21,22)(H,23,24)/b9-8+