5-phenylmethoxy-1,3-bis(phenylmethyl)cyclohex-4-ene-1,3-dicarboxylic acid

Systemtic Name: 5-phenylmethoxy-1,3-bis(phenylmethyl)cyclohex-4-ene-1,3-dicarboxylic acid Openeye Name: 1,3-dibenzyl-5-benzyloxy-cyclohex-4-ene-1,3-dicarboxylic acid CAS Name: 5-phenylmethoxy-1,3-bis(phenylmethyl)cyclohex-4-ene-1,3-dicarboxylic acid IUPAC Name: 1,3-dibenzyl-5-phenylmethoxycyclohex-4-ene-1,3-dicarboxylic acid Traditional Name: 5-benzoxy-1,3-dibenzyl-cyclohex-4-ene-1,3-dicarboxylic acid Formula: C29H28O5 MolecularWeight: 456.52962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(CC1(CC2=CC=CC=C2)C(=O)O)(CC3=CC=CC=C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=CC(CC1(CC2=CC=CC=C2)C(=O)O)(CC3=CC=CC=C3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28O5/c30-26(31)28(16-22-10-4-1-5-11-22)18-25(34-20-24-14-8-3-9-15-24)19-29(21-28,27(32)33)17-23-12-6-2-7-13-23/h1-15,18H,16-17,19-21H2,(H,30,31)(H,32,33)