2,11,20,29,37,38,39,40-OCTAAZANONACYCLO[28.6.1.1(3,10).1(12,19).1(21,28).0(4,9).0(13,18).0(22,27).0(31,36)]TETRACONTA-1(37),2,4(9),5,7,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-NONADECAENE-5-SULFONIC ACID

CAS No.
CCD No.
CCD07999393
Formula
C32 H18 N8 O3 S
MolWeight
594.613

Basic Information

Product Name: 2,11,20,29,37,38,39,40-OCTAAZANONACYCLO[28.6.1.1(3,10).1(12,19).1(21,28).0(4,9).0(13,18).0(22,27).0(31,36)]TETRACONTA-1(37),2,4(9),5,7,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-NONADECAENE-5-SULFONIC ACID
English Synonyms: 2,11,20,29,37,38,39,40-OCTAAZANONACYCLO[28.6.1.1(3,10).1(12,19).1(21,28).0(4,9).0(13,18).0(22,27).0(31,36)]TETRACONTA-1(37),2,4(9),5,7,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-NONADECAENE-5-SULFONIC ACID
MDL Number.: MFCD23134710
H bond acceptor: 11
H bond donor: 3
Smile: c1ccc2c(c1)c/3[nH]c2/nc/4\nc(/nc\5/c6c(cccc6S(=O)(=O)O)/c(/[nH]5)n/c-7n/c(n3)/c8c7cccc8)-c9c4cccc9
InChi: InChI=1S/C32H18N8O3S/c41-44(42,43)23-15-7-14-22-24(23)32-39-30-21-13-6-5-12-20(21)28(37-30)35-26-17-9-2-1-8-16(17)25(33-26)34-27-18-10-3-4-11-19(18)29(36-27)38-31(22)40-32/h1-15H,(H,41,42,43)(H2,33,34,35,36,37,38,39,40)
InChiKey: InChIKey=HHBAVRNTJJSAOF-UHFFFAOYSA-N

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