5-[(2E)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(5-oxidanyl-5-oxidanylidene-pentyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethyl-indol-1-yl]pentanoic acid

Systemtic Name: 5-[(2E)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(5-oxidanyl-5-oxidanylidene-pentyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethyl-indol-1-yl]pentanoic acid Openeye Name: 5-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(5-hydroxy-5-oxo-pentyl)-5-methoxy-3,3-dimethyl-indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethyl-indolin-1-yl]pentanoic acid CAS Name: 5-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(5-hydroxy-5-oxopentyl)-5-methoxy-3,3-dimethyl-2-indol-1-iumyl]ethenyl]-1-cyclohex-2-enylidene]ethylidene]-5-methoxy-3,3-dimethyl-1-indolyl]pentanoic acid IUPAC Name: 5-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(5-hydroxy-5-oxopentyl)-5-methoxy-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]pentanoic acid Traditional Name: 5-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(5-hydroxy-5-keto-pentyl)-5-methoxy-3,3-dimethyl-indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethyl-indolin-1-yl]valeric acid Formula: C42H52ClN2O6+ MolecularWeight: 716.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OC)[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCC(=O)O)C=CC(=C5)OC)(C)C)CCC3)Cl)CCCCC(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OC)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCC(=O)O)C=CC(=C5)OC)(C)C)/CCC3)Cl)CCCCC(=O)O)C

InChI

InChI=1S/C42H51ClN2O6/c1-41(2)32-26-30(50-5)18-20-34(32)44(24-9-7-14-38(46)47)36(41)22-16-28-12-11-13-29(40(28)43)17-23-37-42(3,4)33-27-31(51-6)19-21-35(33)45(37)25-10-8-15-39(48)49/h16-23,26-27H,7-15,24-25H2,1-6H3,(H-,46,47,48,49)/p+1