CAS 1207638-53-6 D 358, 95% - Materials / Alfa Chemistry

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D 358, 95%

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Catalog Number

ACM1207638536

Product Name

D 358, 95%

Structure

CAS

1207638-53-6

Category

Other Glass and Ceramic Materials

IUPAC Name

12-[(5E)-5-[(5E)-3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid

Molecular Weight

912.2g/mol

Molecular Formula

C52H53N3O6S3

Canonical SMILES

C1CC2C(C1)N(C3=C2C=C(C=C3)C=C4C(=O)N(C(=C5C(=O)N(C(=S)S5)CCCCCCCCCCCC(=O)O)S4)CC(=O)O)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C52H53N3O6S3/c56-46(57)23-14-6-4-2-1-3-5-7-15-30-53-50(61)48(64-52(53)62)51-54(34-47(58)59)49(60)45(63-51)33-36-26-29-44-42(32-36)40-21-16-22-43(40)55(44)39-27-24-35(25-28-39)31-41(37-17-10-8-11-18-37)38-19-12-9-13-20-38/h8-13,17-20,24-29,31-33,40,43H,1-7,14-16,21-23,30,34H2,(H,56,57)(H,58,59)/b45-33+,51-48+

InChI Key

HXSDFCKKOUCOIZ-DOESQJKTSA-N

Complexity

1760

Covalently-Bonded Unit Count

Exact Mass

911.30965g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

911.30965g/mol

Rotatable Bond Count