3-(3,4-dichlorophenyl)sulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-(3,4-dichlorophenyl)sulfanyl-5-nitro-phthalic acid Openeye Name: 3-(3,4-dichlorophenyl)sulfanyl-5-nitro-phthalic acid CAS Name: 3-[(3,4-dichlorophenyl)thio]-5-nitrophthalic acid IUPAC Name: 3-(3,4-dichlorophenyl)sulfanyl-5-nitrophthalic acid Traditional Name: 3-[(3,4-dichlorophenyl)thio]-5-nitro-phthalic acid Formula: C14H7Cl2NO6S MolecularWeight: 388.17948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O)Cl)Cl

InChI

InChI=1S/C14H7Cl2NO6S/c15-9-2-1-7(5-10(9)16)24-11-4-6(17(22)23)3-8(13(18)19)12(11)14(20)21/h1-5H,(H,18,19)(H,20,21)