2,3-bis(4-phenylbutyl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(4-phenylbutyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(4-phenylbutyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(4-phenylbutyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(4-phenylbutyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(4-phenylbutyl)-2-sulfo-succinic acid Formula: C24H30O7S MolecularWeight: 462.5558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(C(=O)O)C(CCCCC2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(C(=O)O)C(CCCCC2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H30O7S/c25-22(26)21(17-8-7-15-19-11-3-1-4-12-19)24(23(27)28,32(29,30)31)18-10-9-16-20-13-5-2-6-14-20/h1-6,11-14,21H,7-10,15-18H2,(H,25,26)(H,27,28)(H,29,30,31)