7-[5-(aminocarbonylcarbamoylamino)pentyl]-N,N'-dioctadecyl-nonadecanediamide; carbamic acid; perylene

Systemtic Name: 7-[5-(aminocarbonylcarbamoylamino)pentyl]-N,N'-dioctadecyl-nonadecanediamide; carbamic acid; perylene Openeye Name: 7-[5-(allophanoylamino)pentyl]-N,N'-dioctadecyl-nonadecanediamide; carbamic acid; perylene CAS Name: carbamic acid; 7-[5-[[(carbamoylamino)-oxomethyl]amino]pentyl]-N,N'-dioctadecylnonadecanediamide; perylene IUPAC Name: carbamic acid; 7-[5-(carbamoylcarbamoylamino)pentyl]-N,N'-dioctadecylnonadecanediamide; perylene Traditional Name: 7-[5-(allophanoylamino)pentyl]-N,N'-distearyl-nonadecanediamide; carbamic acid; perylene Formula: C84H141N7O8 MolecularWeight: 1377.06044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC(CCCCCC(=O)NCCCCCCCCCCCCCCCCCC)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

CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC(CCCCCC(=O)NCCCCCCCCCCCCCCCCCC)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/C62H123N5O4.C20H12.2CH3NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-38-47-55-64-59(68)53-45-37-33-29-27-28-32-36-42-50-58(52-44-41-49-57-66-62(71)67-61(63)70)51-43-40-46-54-60(69)65-56-48-39-35-31-26-24-22-20-18-16-14-12-10-8-6-4-2;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,(H,64,68)(H,65,69)(H4,63,66,67,70,71);1-12H;2*2H2,(H,3,4)