sodium (E)-3-[2-[(E)-3-oxidanyl-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[2-[(E)-3-oxidanyl-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[2-[(E)-3-(2-benzyloxyphenyl)-3-hydroxy-prop-1-enyl]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[2-[(E)-3-hydroxy-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[2-[(E)-3-hydroxy-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[2-[(E)-3-(2-benzoxyphenyl)-3-hydroxy-prop-1-enyl]phenyl]acrylate Formula: C25H21NaO4 MolecularWeight: 408.42161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C(C=CC3=CC=CC=C3C=CC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(/C=C/C3=CC=CC=C3/C=C/C(=O)[O-])O.[Na+]

InChI

InChI=1S/C25H22O4.Na/c26-23(16-14-20-10-4-5-11-21(20)15-17-25(27)28)22-12-6-7-13-24(22)29-18-19-8-2-1-3-9-19;/h1-17,23,26H,18H2,(H,27,28);/q;+1/p-1/b16-14+,17-15+;