Einecs 274-425-7

Structural Information

Molecular Formula

C₈₈H₆₄N₁₄O₂₆S₂

SMILES

C1=CC=C2C(=C1)C(=CC(=C2N=NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O)OCC(=O)O)N=NC5=C(C=C6C=C(C=CC6=C5O)NC7=CC=C(C=C7)NC(=O)OCCOC(=O)NC8=CC=C(C=C8)NC9=CC1=CC(=C(C(=C1C=C9)O)N=NC1=CC(=C(C2=CC=CC=C21)N=NC1=CC=C(C=C1)C(=O)NC1=CC(=C(C=C1)O)C(=O)O)OCC(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C88H64N14O26S2/c103-69-31-27-57(39-65(69)85(113)114)91-83(111)45-9-13-53(14-10-45)95-99-77-63-7-3-1-5-61(63)67(41-71(77)127-43-75(105)106)97-101-79-73(129(119,120)121)37-47-35-55(25-29-59(47)81(79)109)89-49-17-21-51(22-18-49)93-87(117)125-33-34-126-88(118)94-52-23-19-50(20-24-52)90-56-26-30-60-48(36-56)38-74(130(122,123)124)80(82(60)110)102-98-68-42-72(128-44-76(107)108)78(64-8-4-2-6-62(64)68)100-96-54-15-11-46(12-16-54)84(112)92-58-28-32-70(104)66(40-58)86(115)116/h1-32,35-42,89-90,103-104,109-110H,33-34,43-44H2,(H,91,111)(H,92,112)(H,93,117)(H,94,118)(H,105,106)(H,107,108)(H,113,114)(H,115,116)(H,119,120,121)(H,122,123,124)

InChIKey

NQWCMPKEHVBYLS-UHFFFAOYSA-N

Compound name

5-[[4-[[4-[[6-[4-[2-[[4-[[6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)carbamoyl]phenyl]diazenyl]-3-(carboxymethoxy)naphthalen-1-yl]diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]phenyl]carbamoyloxy]ethoxycarbonylamino]anilino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-(carboxymethoxy)naphthalen-1-yl]diazenyl]benzoyl]amino]-2-hydroxybenzoic acid

Related CIDs

• CID 16131204