disodium 7-oxidanyl-6-sulfo-naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-oxidanyl-6-sulfo-naphthalene-1,3-disulfonate Openeye Name: disodium 7-hydroxy-6-sulfo-naphthalene-1,3-disulfonate CAS Name: disodium 7-hydroxy-6-sulfonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-hydroxy-6-sulfonaphthalene-1,3-disulfonate Traditional Name: disodium 7-hydroxy-6-sulfo-naphthalene-1,3-disulfonate Formula: C10H6Na2O10S3 MolecularWeight: 428.32318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H8O10S3.2Na/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2