2-[(E)-1-[4-[(E)-4-carboxy-5-ethyl-1-(2-ethylhexoxy)-1-oxidanylidene-non-2-en-3-yl]phenyl]-3-(2-ethylhexoxy)-3-oxidanylidene-prop-1-enyl]-3-ethyl-heptanoic acid

Systemtic Name: 2-[(E)-1-[4-[(E)-4-carboxy-5-ethyl-1-(2-ethylhexoxy)-1-oxidanylidene-non-2-en-3-yl]phenyl]-3-(2-ethylhexoxy)-3-oxidanylidene-prop-1-enyl]-3-ethyl-heptanoic acid Openeye Name: 2-[(E)-1-[4-[(1E)-2-carboxy-3-ethyl-1-[2-(2-ethylhexoxy)-2-oxo-ethylidene]heptyl]phenyl]-3-(2-ethylhexoxy)-3-oxo-prop-1-enyl]-3-ethyl-heptanoic acid CAS Name: 2-[(E)-1-[4-[(E)-4-carboxy-5-ethyl-1-(2-ethylhexoxy)-1-oxonon-2-en-3-yl]phenyl]-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]-3-ethylheptanoic acid IUPAC Name: 2-[(E)-1-[4-[(E)-4-carboxy-5-ethyl-1-(2-ethylhexoxy)-1-oxonon-2-en-3-yl]phenyl]-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]-3-ethylheptanoic acid Traditional Name: (E)-3-[4-[(E)-1-(1-carboxy-2-ethyl-hexyl)-3-(2-ethylhexoxy)-3-keto-prop-1-enyl]phenyl]-5-(2-ethylhexoxy)-2-(1-ethylpentyl)-5-keto-pent-3-enoic acid Formula: C46H74O8 MolecularWeight: 755.07496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=C(C1=CC=C(C=C1)C(=CC(=O)OCC(CC)CCCC)C(C(CC)CCCC)C(=O)O)C(C(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCC(COC(=O)/C=C(\C(C(=O)O)C(CCCC)CC)/C1=CC=C(C=C1)/C(=C/C(=O)OCC(CCCC)CC)/C(C(=O)O)C(CCCC)CC)CC

InChI

InChI=1S/C46H74O8/c1-9-17-21-33(13-5)31-53-41(47)29-39(43(45(49)50)35(15-7)23-19-11-3)37-25-27-38(28-26-37)40(44(46(51)52)36(16-8)24-20-12-4)30-42(48)54-32-34(14-6)22-18-10-2/h25-30,33-36,43-44H,9-24,31-32H2,1-8H3,(H,49,50)(H,51,52)/b39-29-,40-30-