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

Systemtic Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)-1,4-benzoquinone CAS Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-methoxy-5-methyl-3,6-bis(stearylamino)-p-benzoquinone Formula: C44H82N2O3 MolecularWeight: 687.13348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-40-39(3)42(47)41(44(49-4)43(40)48)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-46H,5-38H2,1-4H3