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

Systemtic Name: sodium (E)-3-[2-[2-[(3-methyl-2-phenylmethoxy-phenyl)methyl]cyclopropyl]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[2-[2-[(2-benzyloxy-3-methyl-phenyl)methyl]cyclopropyl]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[2-[2-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropyl]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[2-[2-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropyl]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[2-[2-(2-benzoxy-3-methyl-benzyl)cyclopropyl]phenyl]acrylate Formula: C27H25NaO3 MolecularWeight: 420.47537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC2CC2C3=CC=CC=C3C=CC(=O)[O-])OCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)CC2CC2C3=CC=CC=C3/C=C/C(=O)[O-])OCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H26O3.Na/c1-19-8-7-12-22(27(19)30-18-20-9-3-2-4-10-20)16-23-17-25(23)24-13-6-5-11-21(24)14-15-26(28)29;/h2-15,23,25H,16-18H2,1H3,(H,28,29);/q;+1/p-1/b15-14+;