2-phenoxathiin-4-ylethanoic acid; sodium

Systemtic Name: 2-phenoxathiin-4-ylethanoic acid; sodium Openeye Name: 2-phenoxathiin-4-ylacetic acid; sodium CAS Name: 2-(4-phenoxathiinyl)acetic acid; sodium IUPAC Name: 2-phenoxathiin-4-ylacetic acid; sodium Traditional Name: 2-phenoxathiin-4-ylacetic acid; sodium Formula: C14H10NaO3S MolecularWeight: 281.28217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)CC(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)CC(=O)O.[Na]

InChI

InChI=1S/C14H10O3S.Na/c15-13(16)8-9-4-3-7-12-14(9)17-10-5-1-2-6-11(10)18-12;/h1-7H,8H2,(H,15,16);