ethyl (E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-8-(phenylsulfonyl)oct-7-enoate

Systemtic Name: ethyl (E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-8-(phenylsulfonyl)oct-7-enoate Openeye Name: ethyl (E)-8-(benzenesulfonyl)-2-[2-(1,3-dioxolan-2-yl)phenyl]oct-7-enoate CAS Name: (E)-8-(benzenesulfonyl)-2-[2-(1,3-dioxolan-2-yl)phenyl]-7-octenoic acid ethyl ester IUPAC Name: ethyl (E)-8-(benzenesulfonyl)-2-[2-(1,3-dioxolan-2-yl)phenyl]oct-7-enoate Traditional Name: (E)-8-besyl-2-[2-(1,3-dioxolan-2-yl)phenyl]oct-7-enoic acid ethyl ester Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC=CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2C3OCCO3

Isomeric SMILES

CCOC(=O)C(CCCC/C=C/S(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2C3OCCO3

InChI

InChI=1S/C25H30O6S/c1-2-29-24(26)22(21-14-9-10-16-23(21)25-30-17-18-31-25)15-8-3-4-11-19-32(27,28)20-12-6-5-7-13-20/h5-7,9-14,16,19,22,25H,2-4,8,15,17-18H2,1H3/b19-11+