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2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid

2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid

Systemtic Name:2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid
Openeye Name:2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid
CAS Name:2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid
IUPAC Name:2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid
Traditional Name:2-[4-(4-methyl-5-nonyl-1,3-dioxan-2-yl)phenyl]benzoic acid
Formula: C27H36O4
MolecularWeight: 424.57234
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O


Isomeric SMILES

CCCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O


InChI

InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-12-23-19-30-27(31-20(23)2)22-17-15-21(16-18-22)24-13-10-11-14-25(24)26(28)29/h10-11,13-18,20,23,27H,3-9,12,19H2,1-2H3,(H,28,29)


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