sodium (2R)-2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: sodium (2R)-2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: sodium (2R)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate CAS Name: sodium (2R)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate IUPAC Name: sodium (2R)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: sodium (2R)-2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)propionate Formula: C17H13NaO3S MolecularWeight: 320.33809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H14O3S.Na/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15;/h2-8,10H,9H2,1H3,(H,19,20);/q;+1/p-1/t10-;/m1./s1