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

Systemtic Name: 6-[2-(7-azanyl-4-methyl-2-oxidanylidene-6-sulfo-chromen-3-yl)ethanoylamino]-2-[bis(carboxymethyl)amino]hexanoic acid Openeye Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfo-chromen-3-yl)acetyl]amino]-2-[bis(carboxymethyl)amino]hexanoic acid CAS Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfo-1-benzopyran-3-yl)-1-oxoethyl]amino]-2-[bis(carboxymethyl)amino]hexanoic acid IUPAC Name: 6-[[2-(7-amino-4-methyl-2-oxo-6-sulfochromen-3-yl)acetyl]amino]-2-[bis(carboxymethyl)amino]hexanoic acid Traditional Name: 6-[[2-(7-amino-2-keto-4-methyl-6-sulfo-chromen-3-yl)acetyl]amino]-2-[bis(carboxymethyl)amino]hexanoic acid Formula: C22H27N3O12S MolecularWeight: 557.52768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O12S/c1-11-12-6-17(38(34,35)36)14(23)8-16(12)37-22(33)13(11)7-18(26)24-5-3-2-4-15(21(31)32)25(9-19(27)28)10-20(29)30/h6,8,15H,2-5,7,9-10,23H2,1H3,(H,24,26)(H,27,28)(H,29,30)(H,31,32)(H,34,35,36)