4-azanyl-5-(phenylsulfonyloxy)naphthalene-1,7-disulfonic acid

Systemtic Name: 4-azanyl-5-(phenylsulfonyloxy)naphthalene-1,7-disulfonic acid Openeye Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonic acid CAS Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonic acid IUPAC Name: 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonic acid Traditional Name: 4-amino-5-besyloxy-naphthalene-1,7-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=C(C=CC(=C23)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=C(C=CC(=C23)N)S(=O)(=O)O)S(=O)(=O)O

InChI

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