4-oxidanyl-4-phenoxathiin-2-yl-butanoic acid

Systemtic Name: 4-oxidanyl-4-phenoxathiin-2-yl-butanoic acid Openeye Name: 4-hydroxy-4-phenoxathiin-2-yl-butanoic acid CAS Name: 4-hydroxy-4-(2-phenoxathiinyl)butanoic acid IUPAC Name: 4-hydroxy-4-phenoxathiin-2-ylbutanoic acid Traditional Name: 4-hydroxy-4-phenoxathiin-2-yl-butyric acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(CCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(CCC(=O)O)O

InChI

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