4-[(4-butylphenyl)methyl]-3,6-bis(carboxymethyl)-9-ethyl-undecanedioic acid

Systemtic Name: 4-[(4-butylphenyl)methyl]-3,6-bis(carboxymethyl)-9-ethyl-undecanedioic acid Openeye Name: 4-[(4-butylphenyl)methyl]-3,6-bis(carboxymethyl)-9-ethyl-undecanedioic acid CAS Name: 4-[(4-butylphenyl)methyl]-3,6-bis(carboxymethyl)-9-ethylundecanedioic acid IUPAC Name: 4-[(4-butylphenyl)methyl]-3,6-bis(carboxymethyl)-9-ethylundecanedioic acid Traditional Name: 4-(4-butylbenzyl)-3,6-bis(carboxymethyl)-9-ethyl-undecanedioic acid Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(CC(CCC(CC)CC(=O)O)CC(=O)O)C(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(CC(CCC(CC)CC(=O)O)CC(=O)O)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H42O8/c1-3-5-6-20-8-10-21(11-9-20)13-23(24(17-27(33)34)18-28(35)36)14-22(16-26(31)32)12-7-19(4-2)15-25(29)30/h8-11,19,22-24H,3-7,12-18H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)