(1Z,9E,11E)-3-(4-methylphenyl)sulfonyl-1-phenylmethoxy-trideca-1,9,11-trien-4-ol

Systemtic Name: (1Z,9E,11E)-3-(4-methylphenyl)sulfonyl-1-phenylmethoxy-trideca-1,9,11-trien-4-ol Openeye Name: (1Z,9E,11E)-1-benzyloxy-3-(p-tolylsulfonyl)trideca-1,9,11-trien-4-ol CAS Name: (1Z,9E,11E)-3-(4-methylphenyl)sulfonyl-1-phenylmethoxy-4-trideca-1,9,11-trienol IUPAC Name: (1Z,9E,11E)-3-(4-methylphenyl)sulfonyl-1-phenylmethoxytrideca-1,9,11-trien-4-ol Traditional Name: (1Z,9E,11E)-1-benzoxy-3-tosyl-trideca-1,9,11-trien-4-ol Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCCCCC(C(C=COCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

C/C=C/C=C/CCCCC(C(/C=C\OCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C27H34O4S/c1-3-4-5-6-7-8-12-15-26(28)27(20-21-31-22-24-13-10-9-11-14-24)32(29,30)25-18-16-23(2)17-19-25/h3-6,9-11,13-14,16-21,26-28H,7-8,12,15,22H2,1-2H3/b4-3+,6-5+,21-20-