4-oxidanyl-4-phenoxathiin-3-yl-butanoic acid

Systemtic Name: 4-oxidanyl-4-phenoxathiin-3-yl-butanoic acid Openeye Name: 4-hydroxy-4-phenoxathiin-3-yl-butanoic acid CAS Name: 4-hydroxy-4-(3-phenoxathiinyl)butanoic acid IUPAC Name: 4-hydroxy-4-phenoxathiin-3-ylbutanoic acid Traditional Name: 4-hydroxy-4-phenoxathiin-3-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=CC(=C3)C(CCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4S/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)