carbamic acid; dioctadecyl 7-[5-(aminocarbonylcarbamoylamino)pentyl]nonadecanedioate; perylene

Systemtic Name: carbamic acid; dioctadecyl 7-[5-(aminocarbonylcarbamoylamino)pentyl]nonadecanedioate; perylene Openeye Name: carbamic acid; dioctadecyl 7-[5-(allophanoylamino)pentyl]nonadecanedioate; perylene CAS Name: carbamic acid; 7-[5-[[(carbamoylamino)-oxomethyl]amino]pentyl]nonadecanedioic acid dioctadecyl ester; perylene IUPAC Name: carbamic acid; dioctadecyl 7-[5-(carbamoylcarbamoylamino)pentyl]nonadecanedioate; perylene Traditional Name: 7-[5-(allophanoylamino)pentyl]nonadecanedioic acid distearyl ester; carbamic acid; perylene Formula: C84H139N5O10 MolecularWeight: 1379.02996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC(CCCCCC(=O)OCCCCCCCCCCCCCCCCCC)CCCCCNC(=O)NC(=O)N.C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2.C(=O)(N)O.C(=O)(N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC(CCCCCC(=O)OCCCCCCCCCCCCCCCCCC)CCCCCNC(=O)NC(=O)N.C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2.C(=O)(N)O.C(=O)(N)O

InChI

InChI=1S/C62H121N3O6.C20H12.2CH3NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-38-48-56-70-59(66)53-45-37-33-29-27-28-32-36-42-50-58(52-44-41-47-55-64-62(69)65-61(63)68)51-43-40-46-54-60(67)71-57-49-39-35-31-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;2*2-1(3)4/h58H,3-57H2,1-2H3,(H4,63,64,65,68,69);1-12H;2*2H2,(H,3,4)