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4-(3-heptoxy-2-heptoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid

4-(3-heptoxy-2-heptoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid

Systemtic Name:4-(3-heptoxy-2-heptoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid
Openeye Name:4-(3-heptoxy-2-heptoxycarbonyl-3-oxo-prop-1-enyl)benzoic acid
CAS Name:4-[3-heptoxy-2-[heptoxy(oxo)methyl]-3-oxoprop-1-enyl]benzoic acid
IUPAC Name:4-(3-heptoxy-2-heptoxycarbonyl-3-oxoprop-1-enyl)benzoic acid
Traditional Name:4-(3-heptoxy-2-heptoxycarbonyl-3-keto-prop-1-enyl)benzoic acid
Formula: C25H36O6
MolecularWeight: 432.54974
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCC


Isomeric SMILES

CCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCC


InChI

InChI=1S/C25H36O6/c1-3-5-7-9-11-17-30-24(28)22(25(29)31-18-12-10-8-6-4-2)19-20-13-15-21(16-14-20)23(26)27/h13-16,19H,3-12,17-18H2,1-2H3,(H,26,27)


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