(2R)-2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid

Systemtic Name: (2R)-2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid Openeye Name: (2R)-2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid CAS Name: (2R)-2-[(4-butoxyphenyl)methylthio]butanedioic acid IUPAC Name: (2R)-2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid Traditional Name: (2R)-2-[(4-butoxybenzyl)thio]succinic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CS[C@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C15H20O5S/c1-2-3-8-20-12-6-4-11(5-7-12)10-21-13(15(18)19)9-14(16)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1