ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-5-(methylsulfonyloxymethyl)phenyl]acrylic acid ethyl ester Formula: C18H22O7S MolecularWeight: 382.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)COS(=O)(=O)C)C=CC(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)COS(=O)(=O)C)/C=C/C(=O)OCC

InChI

InChI=1S/C18H22O7S/c1-4-23-17(19)8-6-14-10-15(7-9-18(20)24-5-2)12-16(11-14)13-25-26(3,21)22/h6-12H,4-5,13H2,1-3H3/b8-6+,9-7+