4-[3-[5-(4-oxidanyl-4-oxidanylidene-butyl)-2-pentoxy-phenyl]-4-pentoxy-phenyl]butanoic acid

Systemtic Name: 4-[3-[5-(4-oxidanyl-4-oxidanylidene-butyl)-2-pentoxy-phenyl]-4-pentoxy-phenyl]butanoic acid Openeye Name: 4-[3-[5-(4-hydroxy-4-oxo-butyl)-2-pentoxy-phenyl]-4-pentoxy-phenyl]butanoic acid CAS Name: 4-[3-[5-(4-hydroxy-4-oxobutyl)-2-pentoxyphenyl]-4-pentoxyphenyl]butanoic acid IUPAC Name: 4-[3-[5-(4-hydroxy-4-oxobutyl)-2-pentoxyphenyl]-4-pentoxyphenyl]butanoic acid Traditional Name: 4-[4-amoxy-3-[2-amoxy-5-(4-hydroxy-4-keto-butyl)phenyl]phenyl]butyric acid Formula: C30H42O6 MolecularWeight: 498.65088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CCCC(=O)O)C2=C(C=CC(=C2)CCCC(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CCCC(=O)O)C2=C(C=CC(=C2)CCCC(=O)O)OCCCCC

InChI

InChI=1S/C30H42O6/c1-3-5-7-19-35-27-17-15-23(11-9-13-29(31)32)21-25(27)26-22-24(12-10-14-30(33)34)16-18-28(26)36-20-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3,(H,31,32)(H,33,34)