5-butyl-2-phenyl-undecanethioic S-acid

Systemtic Name: 5-butyl-2-phenyl-undecanethioic S-acid Openeye Name: 5-butyl-2-phenyl-undecanethioic S-acid CAS Name: 5-butyl-2-phenylundecanethioic S-acid IUPAC Name: 5-butyl-2-phenylundecanethioic S-acid Traditional Name: 5-butyl-2-phenyl-undecanethioic S-acid Formula: C21H34OS MolecularWeight: 334.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34OS/c1-3-5-7-9-13-18(12-6-4-2)16-17-20(21(22)23)19-14-10-8-11-15-19/h8,10-11,14-15,18,20H,3-7,9,12-13,16-17H2,1-2H3,(H,22,23)