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

Systemtic Name: 4-(decoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(decoxycarbonylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[decoxy(oxo)methyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(decoxycarbonylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(decoxycarbonylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C21H29NO9S2 MolecularWeight: 503.58626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO9S2/c1-2-3-4-5-6-7-8-9-10-31-21(24)22-18-13-16(32(25,26)27)11-15-12-17(33(28,29)30)14-19(23)20(15)18/h11-14,23H,2-10H2,1H3,(H,22,24)(H,25,26,27)(H,28,29,30)