2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C16H14BrNO5S/c17-11-5-7-13(8-6-11)23-10-12(19)9-18-16(20)14-3-1-2-4-15(14)24(18,21)22/h1-8,12,19H,9-10H2