Chem
J-GLOBAL ID:201007057692771497
Nikkaji number:J2.786.088E
5,11,17,23-Tetrasulfo-25,26,27,28-tetramethoxycalix[4]arene
5,11,17,23-テトラスルホ-25,26,27,28-テトラメトキシカリックス[4]アレーン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C32 H32 O16 S4
Molecular formula furigana:
C32-H32-O16-S4
Molecular weight:
800.830
InChI:
InChI=1S/C32H32O16S4/c1-45-29-17-5-19-11-26(50(36,37)38)13-21(30(19)46-2)7-23-15-28(52(42,43)44)16-24(32(23)48-4)8-22-14-27(51(39,40)41)12-20(31(22)47-3)6-18(29)10-25(9-17)49(33,34)35/h9-16H,5-8H2,1-4H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)
InChI key:
MAEQQHLPBNHRBX-UHFFFAOYSA-N
SMILES:
COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)S(=O)(=O)O)c5OC)S(=O)(=O)O)c4OC)S(=O)(=O)O)c3OC)S(=O)(=O)O
Systematic name (2):
25,26,27,28-テトラメトキシペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,11,17,23-テトラスルホン酸
25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid
Other name (3):
25,26,27,28-Tetramethoxypentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid
5,11,17,23-テトラスルホ-25,26,27,28-テトラメトキシカリックス[4]アレーン
5,11,17,23-Tetrasulfo-25,26,27,28-tetramethoxycalix[4]arene
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