4-(3-hexadecoxy-2-hexadecoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-hexadecoxy-2-hexadecoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid Openeye Name: 4-(3-hexadecoxy-2-hexadecoxycarbonyl-3-oxo-prop-1-enyl)benzoic acid CAS Name: 4-[3-hexadecoxy-2-[hexadecoxy(oxo)methyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-(3-hexadecoxy-2-hexadecoxycarbonyl-3-oxoprop-1-enyl)benzoic acid Traditional Name: 4-(3-cetyloxy-2-cetyloxycarbonyl-3-keto-prop-1-enyl)benzoic acid Formula: C43H72O6 MolecularWeight: 685.02818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H72O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-48-42(46)40(37-38-31-33-39(34-32-38)41(44)45)43(47)49-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37H,3-30,35-36H2,1-2H3,(H,44,45)