sodium (E)-3-[2-[3-(3-methyl-2-phenylmethoxy-phenyl)propyl]phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[2-[3-(3-methyl-2-phenylmethoxy-phenyl)propyl]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[2-[3-(2-benzyloxy-3-methyl-phenyl)propyl]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[2-[3-(3-methyl-2-phenylmethoxyphenyl)propyl]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[2-[3-(3-methyl-2-phenylmethoxyphenyl)propyl]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[2-[3-(2-benzoxy-3-methyl-phenyl)propyl]phenyl]acrylate Formula: C26H25NaO3 MolecularWeight: 408.46467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCCC2=CC=CC=C2C=CC(=O)[O-])OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)CCCC2=CC=CC=C2/C=C/C(=O)[O-])OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H26O3.Na/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28;/h2-7,9-13,15,17-18H,8,14,16,19H2,1H3,(H,27,28);/q;+1/p-1/b18-17+;