2,5-bis(chloranyl)-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(chloranyl)-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-dichloro-3,6-bis(octadecylamino)-1,4-benzoquinone CAS Name: 2,5-dichloro-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-dichloro-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-dichloro-3,6-bis(stearylamino)-p-benzoquinone Formula: C42H76Cl2N2O2 MolecularWeight: 711.97104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C(=C(C1=O)Cl)NCCCCCCCCCCCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C(=C(C1=O)Cl)NCCCCCCCCCCCCCCCCCC)Cl

InChI

InChI=1S/C42H76Cl2N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-39-37(43)42(48)40(38(44)41(39)47)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46H,3-36H2,1-2H3