4-oxidanyl-3-[3-(4-phenylsulfanylphenyl)propyl]naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-[3-(4-phenylsulfanylphenyl)propyl]naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[3-(4-phenylsulfanylphenyl)propyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[3-[4-(phenylthio)phenyl]propyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[3-(4-phenylsulfanylphenyl)propyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[3-[4-(phenylthio)phenyl]propyl]-1,2-naphthoquinone Formula: C25H20O3S MolecularWeight: 400.4895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C25H20O3S/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)29-18-8-2-1-3-9-18/h1-5,8-11,13-16,26H,6-7,12H2