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CAS: 99128-91-3

名称: Purpurin NT2

IUPAC: ethyl 5,11,12,16,17,21,22,26-octaethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,7,9,11,13,15,17,19,21-undecaene-4-carboxylate

SMILES: CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2C1(CC)C6CC)c(CC)c5CC)c(CC)c4CC)C(CC)=C3CC

Canonical SMILES: CCC1C2=NC3=C(C=C(C13CC)C(=O)OCC)C4=NC(=CC5=C(C(=C(N5)C=C6C(=C(C(=C2)N6)CC)CC)CC)CC)C(=C4CC)CC

分子式: C41H52N4O2

分子量: 632.90

InChIKey: NYXANDABNMOLBL-UHFFFAOYSA-N

InChI: InChI=1S/C41H52N4O2/c1-10-23-24(11-2)34-21-36-27(14-5)28(15-6)38(44-36)29-19-31(40(46)47-18-9)41(17-8)30(16-7)37(45-39(29)41)22-35-26(13-4)25(12-3)33(43-35)20-32(23)42-34/h19-22,30,42-43H,10-18H2,1-9H3

PubChem CID: 5487054 →

同義語

NT2 Purpurin99128-91-3NT-2 PurpurinPurpurin NT 2OctaethylpurpurinPurpurin NT2CHEMBL366953NYXANDABNMOLBL-UHFFFAOYSA-NAKOS040753336ethyl 5,11,12,16,17,21,22,26-octaethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,7,9,11,13,15,17,19,21-undecaene-4-carboxylate20-Phorbinecarboxylic acid, 3,4,20,21-tetradehydro-3,4,8,9,13,14,18,19-octaethyl-18,19-dihydro-, ethyl ester

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