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

Systemtic Name: 4-(octoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(octoxycarbonylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[octoxy(oxo)methyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-(octoxycarbonylamino)naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-(octoxycarbonylamino)naphthalene-2,7-disulfonic acid Formula: C19H25NO9S2 MolecularWeight: 475.5331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO9S2/c1-2-3-4-5-6-7-8-29-19(22)20-16-11-14(30(23,24)25)9-13-10-15(31(26,27)28)12-17(21)18(13)16/h9-12,21H,2-8H2,1H3,(H,20,22)(H,23,24,25)(H,26,27,28)