(2Z)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indole

Systemtic Name: (2Z)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indole Openeye Name: 2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indol-1-ium CAS Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-2-indol-1-iumyl]ethenyl]-1-cyclohex-2-enylidene]ethylidene]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethylindole IUPAC Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethylindole Traditional Name: 2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-[5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-5-methoxy-1-(1-methoxyethyl)-3,3,7-trimethyl-indol-1-ium Formula: C40H52ClN2O4+ MolecularWeight: 660.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OC)C(C(=CC=C3CCCC(=C3Cl)C=CC4=[N+](C5=C(C=C(C=C5C4(C)C)OC)C)C(C)OC)N2C(C)OC)(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)OC)C(/C(=C/C=C/3\CCCC(=C3Cl)/C=C/C4=[N+](C5=C(C=C(C=C5C4(C)C)OC)C)C(C)OC)/N2C(C)OC)(C)C

InChI

InChI=1S/C40H52ClN2O4/c1-24-20-30(46-11)22-32-37(24)42(26(3)44-9)34(39(32,5)6)18-16-28-14-13-15-29(36(28)41)17-19-35-40(7,8)33-23-31(47-12)21-25(2)38(33)43(35)27(4)45-10/h16-23,26-27H,13-15H2,1-12H3/q+1