7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-7-(5-carboxylatoheptyl)-2,12-diethyl-tridecanedioate

Systemtic Name: 7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-7-(5-carboxylatoheptyl)-2,12-diethyl-tridecanedioate Openeye Name: 7-(5-carboxylatoheptyl)-2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate CAS Name: 7-(5-carboxylatoheptyl)-2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate IUPAC Name: 7-(5-carboxylatoheptyl)-2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate Traditional Name: 7-(5-carboxylatoheptyl)-2,12-diethyl-7-(3-hydroxy-2,2-dimethylol-propyl)brassylate Formula: C30H53O9-3 MolecularWeight: 557.73642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CCCCC(CC)C(=O)[O-])(CCCCC(CC)C(=O)[O-])CC(CO)(CO)CO)C(=O)[O-]

Isomeric SMILES

CCC(CCCCC(CCCCC(CC)C(=O)[O-])(CCCCC(CC)C(=O)[O-])CC(CO)(CO)CO)C(=O)[O-]

InChI

InChI=1S/C30H56O9/c1-4-23(26(34)35)13-7-10-16-29(19-30(20-31,21-32)22-33,17-11-8-14-24(5-2)27(36)37)18-12-9-15-25(6-3)28(38)39/h23-25,31-33H,4-22H2,1-3H3,(H,34,35)(H,36,37)(H,38,39)/p-3