2-chloranyl-3-(phenylmethyl)-5-sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(phenylmethyl)-5-sulfanyl-naphthalene-1,4-dione Openeye Name: 3-benzyl-2-chloro-5-sulfanyl-naphthalene-1,4-dione CAS Name: 2-chloro-5-mercapto-3-(phenylmethyl)naphthalene-1,4-dione IUPAC Name: 3-benzyl-2-chloro-5-sulfanylnaphthalene-1,4-dione Traditional Name: 3-benzyl-2-chloro-5-mercapto-1,4-naphthoquinone Formula: C17H11ClO2S MolecularWeight: 314.78604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)C3=C(C2=O)C(=CC=C3)S)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)C3=C(C2=O)C(=CC=C3)S)Cl

InChI

InChI=1S/C17H11ClO2S/c18-15-12(9-10-5-2-1-3-6-10)16(19)14-11(17(15)20)7-4-8-13(14)21/h1-8,21H,9H2