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

Systemtic Name: 4-(hexanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(hexanoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-(1-oxohexylamino)naphthalene-2,7-disulfonic acid IUPAC Name: 4-(hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(caproylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C16H19NO8S2 MolecularWeight: 417.45396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO8S2/c1-2-3-4-5-15(19)17-13-8-11(26(20,21)22)6-10-7-12(27(23,24)25)9-14(18)16(10)13/h6-9,18H,2-5H2,1H3,(H,17,19)(H,20,21,22)(H,23,24,25)