2-oxidanyl-3-(2-phenylethynylsulfanyl)-2,3-dihydronaphthalene-1,4-dione

Systemtic Name: 2-oxidanyl-3-(2-phenylethynylsulfanyl)-2,3-dihydronaphthalene-1,4-dione Openeye Name: 2-hydroxy-3-(2-phenylethynylsulfanyl)tetralin-1,4-dione CAS Name: 2-hydroxy-3-(2-phenylethynylthio)-2,3-dihydronaphthalene-1,4-dione IUPAC Name: 2-hydroxy-3-(2-phenylethynylsulfanyl)-2,3-dihydronaphthalene-1,4-dione Traditional Name: 2-hydroxy-3-(2-phenylethynylthio)tetralin-1,4-quinone Formula: C18H12O3S MolecularWeight: 308.35108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CSC2C(C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CSC2C(C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C18H12O3S/c19-15-13-8-4-5-9-14(13)16(20)18(17(15)21)22-11-10-12-6-2-1-3-7-12/h1-9,17-18,21H