7-butyl-2-phenyl-undecanethioic S-acid

Systemtic Name: 7-butyl-2-phenyl-undecanethioic S-acid Openeye Name: 7-butyl-2-phenyl-undecanethioic S-acid CAS Name: 7-butyl-2-phenylundecanethioic S-acid IUPAC Name: 7-butyl-2-phenylundecanethioic S-acid Traditional Name: 7-butyl-2-phenyl-undecanethioic S-acid Formula: C21H34OS MolecularWeight: 334.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCCCC(C1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCC(CCCC)CCCCC(C1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C21H34OS/c1-3-5-12-18(13-6-4-2)14-10-11-17-20(21(22)23)19-15-8-7-9-16-19/h7-9,15-16,18,20H,3-6,10-14,17H2,1-2H3,(H,22,23)