4-(aminocarbonylamino)-2-ethylsulfonyl-5-oxidanyl-3-phenyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-(aminocarbonylamino)-2-ethylsulfonyl-5-oxidanyl-3-phenyl-naphthalene-1,7-disulfonic acid Openeye Name: 2-ethylsulfonyl-5-hydroxy-3-phenyl-4-ureido-naphthalene-1,7-disulfonic acid CAS Name: 4-(carbamoylamino)-2-ethylsulfonyl-5-hydroxy-3-phenylnaphthalene-1,7-disulfonic acid IUPAC Name: 4-(carbamoylamino)-2-ethylsulfonyl-5-hydroxy-3-phenylnaphthalene-1,7-disulfonic acid Traditional Name: 2-esyl-5-hydroxy-3-phenyl-4-ureido-naphthalene-1,7-disulfonic acid Formula: C19H18N2O10S3 MolecularWeight: 530.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)NC(=O)N)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=C(C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)NC(=O)N)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H18N2O10S3/c1-2-32(24,25)18-14(10-6-4-3-5-7-10)16(21-19(20)23)15-12(17(18)34(29,30)31)8-11(9-13(15)22)33(26,27)28/h3-9,22H,2H2,1H3,(H3,20,21,23)(H,26,27,28)(H,29,30,31)