4-azanyl-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid CAS Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid Traditional Name: 4-amino-5-besyloxy-naphthalene-2,7-disulfonic acid Formula: C16H13NO9S3 MolecularWeight: 459.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H13NO9S3/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)