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

Systemtic Name: (E,3S)-3-oxidanyl-7-(triphenylmethyl)sulfanyl-hept-4-enoic acid Openeye Name: (E,3S)-3-hydroxy-7-tritylsulfanyl-hept-4-enoic acid CAS Name: (E,3S)-3-hydroxy-7-[(triphenylmethyl)thio]-4-heptenoic acid IUPAC Name: (E,3S)-3-hydroxy-7-tritylsulfanylhept-4-enoic acid Traditional Name: (E,3S)-3-hydroxy-7-(tritylthio)hept-4-enoic acid Formula: C26H26O3S MolecularWeight: 418.54784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC/C=C/[C@H](CC(=O)O)O

InChI

InChI=1S/C26H26O3S/c27-24(20-25(28)29)18-10-11-19-30-26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-10,12-18,24,27H,11,19-20H2,(H,28,29)/b18-10+/t24-/m1/s1