4-(3-oxidanylidene-3-tridecoxy-2-tridecoxycarbonyl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-tridecoxy-2-tridecoxycarbonyl-prop-1-enyl)benzoic acid Openeye Name: 4-(3-oxo-3-tridecoxy-2-tridecoxycarbonyl-prop-1-enyl)benzoic acid CAS Name: 4-[3-oxo-2-[oxo(tridecoxy)methyl]-3-tridecoxyprop-1-enyl]benzoic acid IUPAC Name: 4-(3-oxo-3-tridecoxy-2-tridecoxycarbonylprop-1-enyl)benzoic acid Traditional Name: 4-(3-keto-3-tridecoxy-2-tridecoxycarbonyl-prop-1-enyl)benzoic acid Formula: C37H60O6 MolecularWeight: 600.8687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C37H60O6/c1-3-5-7-9-11-13-15-17-19-21-23-29-42-36(40)34(31-32-25-27-33(28-26-32)35(38)39)37(41)43-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28,31H,3-24,29-30H2,1-2H3,(H,38,39)