DIMETHYL 12,20,36,44-TETRATHIANONACYCLO[44.2.2.2(7,10).2(22,25).2(31,34).1(2,6).1(14,18).1(26,30).1(38,42)]HEXACONTA-1(48),2(60),3,5,7,9,14(57),15,17,22,24,26(54),27,29,31,33,38(51),39,41,46,49,52,55,58-TETRACOSAENE-54,60-DICARBOXYLATE

CAS No.
CCD No.
CCD08157412
Formula
C60 H52 O4 S4
MolWeight
965.331

Basic Information

Product Name: DIMETHYL 12,20,36,44-TETRATHIANONACYCLO[44.2.2.2(7,10).2(22,25).2(31,34).1(2,6).1(14,18).1(26,30).1(38,42)]HEXACONTA-1(48),2(60),3,5,7,9,14(57),15,17,22,24,26(54),27,29,31,33,38(51),39,41,46,49,52,55,58-TETRACOSAENE-54,60-DICARBOXYLATE
English Synonyms: DIMETHYL 12,20,36,44-TETRATHIANONACYCLO[44.2.2.2(7,10).2(22,25).2(31,34).1(2,6).1(14,18).1(26,30).1(38,42)]HEXACONTA-1(48),2(60),3,5,7,9,14(57),15,17,22,24,26(54),27,29,31,33,38(51),39,41,46,49,52,55,58-TETRACOSAENE-54,60-DICARBOXYLATE
MDL Number.: MFCD02684853
H bond acceptor: 4
H bond donor: 0
Smile: COC(=O)c1c-2cccc1-c3ccc(cc3)CSCc4cccc(c4)CSCc5ccc(cc5)-c6cccc(c6C(=O)OC)-c7ccc(cc7)CSCc8cccc(c8)CSCc9ccc2cc9
InChi: InChI=1S/C60H52O4S4/c1-63-59(61)57-53-11-5-12-54(57)50-25-17-42(18-26-50)34-66-38-46-8-4-10-48(32-46)40-68-36-44-21-29-52(30-22-44)56-14-6-13-55(58(56)60(62)64-2)51-27-19-43(20-28-51)35-67-39-47-9-3-7-45(31-47)37-65-33-41-15-23-49(53)24-16-41/h3-32H,33-40H2,1-2H3
InChiKey: InChIKey=BRWJQLSPYYOYNH-UHFFFAOYSA-N

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