disodium 4-azanyl-5-(phenylsulfonyloxy)naphthalene-1,7-disulfonate

Systemtic Name: disodium 4-azanyl-5-(phenylsulfonyloxy)naphthalene-1,7-disulfonate Openeye Name: disodium 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonate CAS Name: disodium 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonate IUPAC Name: disodium 4-amino-5-(benzenesulfonyloxy)naphthalene-1,7-disulfonate Traditional Name: disodium 4-amino-5-besyloxy-naphthalene-1,7-disulfonate Formula: C16H11NNa2O9S3 MolecularWeight: 503.43438

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C16H13NO9S3.2Na/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);;/q;2*+1/p-2