2-oxidanyl-2-(5-phenylpentylsulfanylmethyl)butanedioic acid

Systemtic Name: 2-oxidanyl-2-(5-phenylpentylsulfanylmethyl)butanedioic acid Openeye Name: 2-hydroxy-2-(5-phenylpentylsulfanylmethyl)butanedioic acid CAS Name: 2-hydroxy-2-[(5-phenylpentylthio)methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-(5-phenylpentylsulfanylmethyl)butanedioic acid Traditional Name: 2-hydroxy-2-[(5-phenylpentylthio)methyl]succinic acid Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H22O5S/c17-14(18)11-16(21,15(19)20)12-22-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2,(H,17,18)(H,19,20)