2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C11H8ClNO5S MolecularWeight: 301.70292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(O2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(O2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H8ClNO5S/c12-5-1-2-7-6(3-5)13-11(18-7)19-8(10(16)17)4-9(14)15/h1-3,8H,4H2,(H,14,15)(H,16,17)