hexasodium naphthalene-1,3,5-trisulfonate

Systemtic Name: hexasodium naphthalene-1,3,5-trisulfonate Openeye Name: hexasodium naphthalene-1,3,5-trisulfonate CAS Name: hexasodium naphthalene-1,3,5-trisulfonate IUPAC Name: hexasodium naphthalene-1,3,5-trisulfonate Traditional Name: hexasodium naphthalene-1,3,5-trisulfonate Formula: C20H10Na6O18S6 MolecularWeight: 868.61122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C10H8O9S3.6Na/c2*11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16;;;;;;/h2*1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;;;;/q;;6*+1/p-6