4-(hexoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(hexoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(hexoxycarbonylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[hexoxy(oxo)methyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(hexoxycarbonylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(hexoxycarbonylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H21NO9S2 MolecularWeight: 447.47994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C17H21NO9S2/c1-2-3-4-5-6-27-17(20)18-14-9-12(28(21,22)23)7-11-8-13(29(24,25)26)10-15(19)16(11)14/h7-10,19H,2-6H2,1H3,(H,18,20)(H,21,22,23)(H,24,25,26)