(2E,8E)-6-methyl-7-phenyl-2-sulfanyl-henicosa-2,8-dien-6-ol

Systemtic Name: (2E,8E)-6-methyl-7-phenyl-2-sulfanyl-henicosa-2,8-dien-6-ol Openeye Name: (2E,8E)-6-methyl-7-phenyl-2-sulfanyl-henicosa-2,8-dien-6-ol CAS Name: (2E,8E)-2-mercapto-6-methyl-7-phenyl-6-heneicosa-2,8-dienol IUPAC Name: (2E,8E)-6-methyl-7-phenyl-2-sulfanylhenicosa-2,8-dien-6-ol Traditional Name: (2E,8E)-2-mercapto-6-methyl-7-phenyl-heneicosa-2,8-dien-6-ol Formula: C28H46OS MolecularWeight: 430.72924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C1=CC=CC=C1)C(C)(CCC=C(C)S)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C1=CC=CC=C1)C(C)(CC/C=C(\C)/S)O

InChI

InChI=1S/C28H46OS/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-27(26-21-16-15-17-22-26)28(3,29)24-19-20-25(2)30/h15-18,20-23,27,29-30H,4-14,19,24H2,1-3H3/b23-18+,25-20+