sodium 4-oxidanyl-4-phenoxathiin-3-yl-butanoate

Systemtic Name: sodium 4-oxidanyl-4-phenoxathiin-3-yl-butanoate Openeye Name: sodium 4-hydroxy-4-phenoxathiin-3-yl-butanoate CAS Name: sodium 4-hydroxy-4-(3-phenoxathiinyl)butanoate IUPAC Name: sodium 4-hydroxy-4-phenoxathiin-3-ylbutanoate Traditional Name: sodium 4-hydroxy-4-phenoxathiin-3-yl-butyrate Formula: C16H13NaO4S MolecularWeight: 324.32679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H14O4S.Na/c17-11(6-8-16(18)19)10-5-7-15-13(9-10)20-12-3-1-2-4-14(12)21-15;/h1-5,7,9,11,17H,6,8H2,(H,18,19);/q;+1/p-1