2-[3-(dioctadecylamino)-6-methylimino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-(dioctadecylamino)-6-methylimino-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(dioctadecylamino)-6-methylimino-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(dioctadecylamino)-6-methylimino-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(dioctadecylamino)-6-methyliminoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(distearylamino)-6-methylimino-xanthen-9-yl]benzoic acid Formula: C57H88N2O3 MolecularWeight: 849.32022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C57H88N2O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44-59(45-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)49-41-43-53-55(47-49)62-54-46-48(58-3)40-42-52(54)56(53)50-38-34-35-39-51(50)57(60)61/h34-35,38-43,46-47H,4-33,36-37,44-45H2,1-3H3,(H,60,61)