2-[10-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]decyl]butanedioic acid

Systemtic Name: 2-[10-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]decyl]butanedioic acid Openeye Name: 2-[10-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]decyl]butanedioic acid CAS Name: 2-[10-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]decyl]butanedioic acid IUPAC Name: 2-[10-[(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]decyl]butanedioic acid Traditional Name: 2-[10-[(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]decyl]succinic acid Formula: C18H31NO10S MolecularWeight: 453.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCC(CC(=O)O)C(=O)O

Isomeric SMILES

C(CCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H31NO10S/c20-15(12-14(18(25)26)30(27,28)29)19-10-8-6-4-2-1-3-5-7-9-13(17(23)24)11-16(21)22/h13-14H,1-12H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28,29)