sodium 2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxidanylidene-inden-1-olate

Systemtic Name: sodium 2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxidanylidene-inden-1-olate Openeye Name: sodium 2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxo-inden-1-olate CAS Name: sodium 2-[(E)-3-(4-iodophenyl)-1-oxoprop-2-enyl]-3-oxo-1-indenolate IUPAC Name: sodium 2-[(E)-3-(4-iodophenyl)prop-2-enoyl]-3-oxoinden-1-olate Traditional Name: sodium 2-[(E)-3-(4-iodophenyl)acryloyl]-3-keto-inden-1-olate Formula: C18H10INaO3 MolecularWeight: 424.16444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C2=O)C(=O)C=CC3=CC=C(C=C3)I)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C2=O)C(=O)/C=C/C3=CC=C(C=C3)I)[O-].[Na+]

InChI

InChI=1S/C18H11IO3.Na/c19-12-8-5-11(6-9-12)7-10-15(20)16-17(21)13-3-1-2-4-14(13)18(16)22;/h1-10,21H;/q;+1/p-1/b10-7+;