sodium 4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylate

Systemtic Name: sodium 4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylate Openeye Name: sodium 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-1H-indole-2-carboxylate CAS Name: sodium 4,6-dichloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1H-indole-2-carboxylate IUPAC Name: sodium 4,6-dichloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1H-indole-2-carboxylate Traditional Name: sodium 4,6-dichloro-3-[(E)-3-hydroxy-3-keto-prop-1-enyl]-1H-indole-2-carboxylate Formula: C12H6Cl2NNaO4 MolecularWeight: 322.07611

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1Cl)C(=C(N2)C(=O)[O-])C=CC(=O)O)Cl.[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1Cl)C(=C(N2)C(=O)[O-])/C=C/C(=O)O)Cl.[Na+]

InChI

InChI=1S/C12H7Cl2NO4.Na/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5;/h1-4,15H,(H,16,17)(H,18,19);/q;+1/p-1/b2-1+;