sodium; 2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; 8-methyl-5-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium; 2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; 8-methyl-5-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium; 2,5-diamino-5-oxo-pentanoic acid; 5-isopropyl-8-methyl-azulene-1-sulfonate CAS Name: sodium; 2,5-diamino-5-oxopentanoic acid; 8-methyl-5-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium; 2,5-diamino-5-oxopentanoic acid; 8-methyl-5-propan-2-ylazulene-1-sulfonate Traditional Name: sodium; 2,5-diamino-5-keto-valeric acid; 5-isopropyl-8-methyl-azulene-1-sulfonate Formula: C19H25N2NaO6S MolecularWeight: 432.46637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C2C1=C(C=C2)S(=O)(=O)[O-])C(C)C.C(CC(=O)N)C(C(=O)O)N.[Na+]

Isomeric SMILES

CC1=CC=C(C=C2C1=C(C=C2)S(=O)(=O)[O-])C(C)C.C(CC(=O)N)C(C(=O)O)N.[Na+]

InChI

InChI=1S/C14H16O3S.C5H10N2O3.Na/c1-9(2)11-5-4-10(3)14-12(8-11)6-7-13(14)18(15,16)17;6-3(5(9)10)1-2-4(7)8;/h4-9H,1-3H3,(H,15,16,17);3H,1-2,6H2,(H2,7,8)(H,9,10);/q;;+1/p-1