5-butyl-2-(phenylmethyl)undecanethioic S-acid

Systemtic Name: 5-butyl-2-(phenylmethyl)undecanethioic S-acid Openeye Name: 2-benzyl-5-butyl-undecanethioic S-acid CAS Name: 5-butyl-2-(phenylmethyl)undecanethioic S-acid IUPAC Name: 2-benzyl-5-butylundecanethioic S-acid Traditional Name: 2-benzyl-5-butyl-undecanethioic S-acid Formula: C22H36OS MolecularWeight: 348.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CCC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCCCC(CCCC)CCC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C22H36OS/c1-3-5-7-9-13-19(12-6-4-2)16-17-21(22(23)24)18-20-14-10-8-11-15-20/h8,10-11,14-15,19,21H,3-7,9,12-13,16-18H2,1-2H3,(H,23,24)