14-octadecyl-8-thia-14-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1(18),2(7),3,5,9(19),10,12(20),16-octaene-13,15-dione

CAS: 12671-74-8

Formula: C36H45NO2S

SMILES: CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=C3C4=C(SC5=C3C2=C(C=C5)C1=O)C=CC=C4

IUPAC: 14-octadecyl-8-thia-14-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1(18),2(7),3,5,9(19),10,12(20),16-octaene-13,15-dione

InChI: InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3

Composition: C (77.79%), H (8.16%), N (2.52%), O (5.76%), S (5.77%)

Molar Mass: 555.82

Atom Count: 85

Heavy Atom Count: 40