[6-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-3-iodanyl-4-oxidanyl-phenyl]-phenyl-methanone

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-3-iodanyl-4-oxidanyl-phenyl]-phenyl-methanone Openeye Name: [6-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-4-hydroxy-3-iodo-phenyl]-phenyl-methanone CAS Name: [6-(1,3-benzodioxol-5-yl)-2-(ethylthio)-4-hydroxy-3-iodophenyl]-phenylmethanone IUPAC Name: [6-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-4-hydroxy-3-iodophenyl]-phenylmethanone Traditional Name: [6-(1,3-benzodioxol-5-yl)-2-(ethylthio)-4-hydroxy-3-iodo-phenyl]-phenyl-methanone Formula: C22H17IO4S MolecularWeight: 504.33745

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=CC(=C1I)O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=C(C(=CC(=C1I)O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17IO4S/c1-2-28-22-19(21(25)13-6-4-3-5-7-13)15(11-16(24)20(22)23)14-8-9-17-18(10-14)27-12-26-17/h3-11,24H,2,12H2,1H3