3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenyl-benzoic acid

Systemtic Name: 3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenyl-benzoic acid Openeye Name: 3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenyl-benzoic acid CAS Name: 3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenylbenzoic acid IUPAC Name: 3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenylbenzoic acid Traditional Name: 3-(4-methyl-5-octyl-1,3-dioxan-2-yl)-4-phenyl-benzoic acid Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1C)C2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1COC(OC1C)C2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H34O4/c1-3-4-5-6-7-9-14-22-18-29-26(30-19(22)2)24-17-21(25(27)28)15-16-23(24)20-12-10-8-11-13-20/h8,10-13,15-17,19,22,26H,3-7,9,14,18H2,1-2H3,(H,27,28)