(E)-dodecyl-[6-(dodecylamino)-2,7-dimethyl-9-phenyl-xanthen-3-ylidene]azanium

Systemtic Name: (E)-dodecyl-[6-(dodecylamino)-2,7-dimethyl-9-phenyl-xanthen-3-ylidene]azanium Openeye Name: (E)-dodecyl-[6-(dodecylamino)-2,7-dimethyl-9-phenyl-xanthen-3-ylidene]ammonium CAS Name: (E)-dodecyl-[6-(dodecylamino)-2,7-dimethyl-9-phenyl-3-xanthenylidene]ammonium IUPAC Name: (E)-dodecyl-[6-(dodecylamino)-2,7-dimethyl-9-phenylxanthen-3-ylidene]azanium Traditional Name: (E)-lauryl-[6-(laurylamino)-2,7-dimethyl-9-phenyl-xanthen-3-ylidene]ammonium Formula: C45H67N2O+ MolecularWeight: 652.02628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CCCCCCCCCCCC)C(=CC3=C2C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCCCCCCCCNC1=C(C=C2C(=C1)OC3=C/C(=[NH+]\CCCCCCCCCCCC)/C(=CC3=C2C4=CC=CC=C4)C)C

InChI

InChI=1S/C45H66N2O/c1-5-7-9-11-13-15-17-19-21-26-30-46-41-34-43-39(32-36(41)3)45(38-28-24-23-25-29-38)40-33-37(4)42(35-44(40)48-43)47-31-27-22-20-18-16-14-12-10-8-6-2/h23-25,28-29,32-35,46H,5-22,26-27,30-31H2,1-4H3/p+1/b47-42+