[(Z)-4-ethoxycarbonyl-3-ethyl-1-thiophen-2-yl-hex-3-en-2-yl]phosphonic acid

Systemtic Name: [(Z)-4-ethoxycarbonyl-3-ethyl-1-thiophen-2-yl-hex-3-en-2-yl]phosphonic acid Openeye Name: [(Z)-3-ethoxycarbonyl-2-ethyl-1-(2-thienylmethyl)pent-2-enyl]phosphonic acid CAS Name: [(Z)-4-ethoxycarbonyl-3-ethyl-1-thiophen-2-ylhex-3-en-2-yl]phosphonic acid IUPAC Name: [(Z)-4-ethoxycarbonyl-3-ethyl-1-thiophen-2-ylhex-3-en-2-yl]phosphonic acid Traditional Name: [(Z)-3-carbethoxy-2-ethyl-1-(2-thenyl)pent-2-enyl]phosphonic acid Formula: C15H23O5PS MolecularWeight: 346.378881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C(=O)OCC)C(CC1=CC=CS1)P(=O)(O)O

Isomeric SMILES

CC/C(=C(\CC)/C(=O)OCC)/C(CC1=CC=CS1)P(=O)(O)O

InChI

InChI=1S/C15H23O5PS/c1-4-12(13(5-2)15(16)20-6-3)14(21(17,18)19)10-11-8-7-9-22-11/h7-9,14H,4-6,10H2,1-3H3,(H2,17,18,19)/b13-12-