nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid

Systemtic Name: nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid Openeye Name: nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid CAS Name: nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid IUPAC Name: nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid Traditional Name: nonatriacontane-1,3,9,15,21,27,33,39-octacarboxylic acid Formula: C47H80O16 MolecularWeight: 901.1285

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)O)CCC(CCCCCC(CCCCCC(CCCCCC(CCCCCC(CCCCCC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C(CCCC(=O)O)CCC(CCCCCC(CCCCCC(CCCCCC(CCCCCC(CCCCCC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C47H80O16/c48-40(49)31-19-2-1-8-20-34(42(52)53)21-9-3-10-22-35(43(54)55)23-11-4-12-24-36(44(56)57)25-13-5-14-26-37(45(58)59)27-15-6-16-28-38(46(60)61)29-17-7-18-30-39(47(62)63)32-33-41(50)51/h34-39H,1-33H2,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)