8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid CAS Name: 8-(1,3-benzoxazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylic acid Traditional Name: 8-(1,3-benzoxazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid Formula: C19H21NO9S MolecularWeight: 439.43634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H21NO9S/c21-15(22)6-5-10(16(23)24)7-11(17(25)26)8-12(18(27)28)9-30-19-20-13-3-1-2-4-14(13)29-19/h1-4,10-12H,5-9H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)