dicalcium disodium naphthalene-2,7-disulfonate

Systemtic Name: dicalcium disodium naphthalene-2,7-disulfonate Openeye Name: dicalcium disodium naphthalene-2,7-disulfonate CAS Name: dicalcium disodium naphthalene-2,7-disulfonate IUPAC Name: dicalcium disodium naphthalene-2,7-disulfonate Traditional Name: dicalcium disodium naphthalene-2,7-disulfonate Formula: C30H18Ca2Na2O18S6 MolecularWeight: 984.97866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Ca+2].[Ca+2]

InChI

InChI=1S/3C10H8O6S2.2Ca.2Na/c3*11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;;;;/h3*1-6H,(H,11,12,13)(H,14,15,16);;;;/q;;;2*+2;2*+1/p-6