(E)-3,3-dimethyl-7-(triphenylmethyl)sulfanyl-hept-4-enoic acid

Systemtic Name: (E)-3,3-dimethyl-7-(triphenylmethyl)sulfanyl-hept-4-enoic acid Openeye Name: (E)-3,3-dimethyl-7-tritylsulfanyl-hept-4-enoic acid CAS Name: (E)-3,3-dimethyl-7-[(triphenylmethyl)thio]-4-heptenoic acid IUPAC Name: (E)-3,3-dimethyl-7-tritylsulfanylhept-4-enoic acid Traditional Name: (E)-3,3-dimethyl-7-(tritylthio)hept-4-enoic acid Formula: C28H30O2S MolecularWeight: 430.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)C=CCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(=O)O)/C=C/CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H30O2S/c1-27(2,22-26(29)30)20-12-13-21-31-28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-12,14-20H,13,21-22H2,1-2H3,(H,29,30)/b20-12+