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benzoic acid; propane-1,3-diol

benzoic acid; propane-1,3-diol

Systemtic Name:benzoic acid; propane-1,3-diol
Openeye Name:benzoic acid; propane-1,3-diol
CAS Name:benzoic acid; propane-1,3-diol
IUPAC Name:benzoic acid; propane-1,3-diol
Traditional Name:benzoic acid; propane-1,3-diol
Formula: C24H26O8
MolecularWeight: 442.45844
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(CO)CO


Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(CO)CO


InChI

InChI=1S/3C7H6O2.C3H8O2/c3*8-7(9)6-4-2-1-3-5-6;4-2-1-3-5/h3*1-5H,(H,8,9);4-5H,1-3H2


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