6-[2-(7-azanyl-4-methyl-2-oxidanylidene-6-sulfo-chromen-3-yl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(7-azanyl-4-methyl-2-oxidanylidene-6-sulfo-chromen-3-yl)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfo-chromen-3-yl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfo-1-benzopyran-3-yl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfochromen-3-yl)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(7-amino-2-keto-4-methyl-6-sulfo-chromen-3-yl)acetyl]amino]hexanoic acid Formula: C18H22N2O8S MolecularWeight: 426.44088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C18H22N2O8S/c1-10-11-7-15(29(25,26)27)13(19)9-14(11)28-18(24)12(10)8-16(21)20-6-4-2-3-5-17(22)23/h7,9H,2-6,8,19H2,1H3,(H,20,21)(H,22,23)(H,25,26,27)