化学式

CAS号

IUPAC Name

7-氯-22-[(E)-2-(7-氯-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-基)乙烯基]-11-[(E)-2-(18-氯-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexaco 7-chloro-22-[(E)-2-(7-chloro-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-11-[(E)-2-(18-chloro-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

InChI

InChI=1S/C76H27Cl3N6O12/c77-83-71(92)41-17-7-30-31-6-14-39-56-45(69(90)81-67(39)88)21-25(49(61(31)56)34-11-19-42(72(83)93)58(41)54(30)34)1-4-28-24-48-60-44(74(95)85(79)76(48)97)20-12-36-51-26(22-46-57-40(68(89)82-70(46)91)16-10-35(63(51)57)52(28)64(36)60)2-3-27-23-47-59-43(73(94)84(78)75(47)96)18-8-32-29-5-13-37-55-38(66(87)80-65(37)86)15-9-33(53(29)55)50(27)62(32)59/h1-24H,(H,80,86,87)(H,81,88,90)(H,82,89,91)/b3-2+,4-1+

InChI Key

XXLKGMJQDDEYQO-DXLKSGPOSA-N

Canonical SMILES

C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=C(C=C7C6=C(C=C5)C(=O)N(C7=O)Cl)C=CC8=C9C1=C3C(=C(C=C4C3=C(C=C1)C(=O)N(C4=O)Cl)C=CC1=C3C4=CC=C5C6=C(C=CC(=C46)C4=C3C3=C(C=C4)C(=O)NC(=O)C3=C1)C(=O)N(C5=O)Cl)C1=C9C3=C(C=C1)C(=O)NC(=O)C3=C8)C(=O)NC2=O

别名

• SCHEMBL19062417