6-(4-bromophenyl)sulfanyl-2,3-dimethoxy-naphthalene-1,4-dione

Systemtic Name: 6-(4-bromophenyl)sulfanyl-2,3-dimethoxy-naphthalene-1,4-dione Openeye Name: 6-(4-bromophenyl)sulfanyl-2,3-dimethoxy-naphthalene-1,4-dione CAS Name: 6-[(4-bromophenyl)thio]-2,3-dimethoxynaphthalene-1,4-dione IUPAC Name: 6-(4-bromophenyl)sulfanyl-2,3-dimethoxynaphthalene-1,4-dione Traditional Name: 6-[(4-bromophenyl)thio]-2,3-dimethoxy-1,4-naphthoquinone Formula: C18H13BrO4S MolecularWeight: 405.26242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H13BrO4S/c1-22-17-15(20)13-8-7-12(9-14(13)16(21)18(17)23-2)24-11-5-3-10(19)4-6-11/h3-9H,1-2H3