sodium 4-dibenzothiophen-4-yl-4-oxidanyl-butanoate

Systemtic Name: sodium 4-dibenzothiophen-4-yl-4-oxidanyl-butanoate Openeye Name: sodium 4-dibenzothiophen-4-yl-4-hydroxy-butanoate CAS Name: sodium 4-(4-dibenzothiophenyl)-4-hydroxybutanoate IUPAC Name: sodium 4-dibenzothiophen-4-yl-4-hydroxybutanoate Traditional Name: sodium 4-dibenzothiophen-4-yl-4-hydroxy-butyrate Formula: C16H13NaO3S MolecularWeight: 308.32739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O3S.Na/c17-13(8-9-15(18)19)12-6-3-5-11-10-4-1-2-7-14(10)20-16(11)12;/h1-7,13,17H,8-9H2,(H,18,19);/q;+1/p-1