disodium 4-oxidanyl-5-sulfo-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-oxidanyl-5-sulfo-naphthalene-2,7-disulfonate Openeye Name: disodium 4-hydroxy-5-sulfo-naphthalene-2,7-disulfonate CAS Name: disodium 4-hydroxy-5-sulfonaphthalene-2,7-disulfonate IUPAC Name: disodium 4-hydroxy-5-sulfonaphthalene-2,7-disulfonate Traditional Name: disodium 4-hydroxy-5-sulfo-naphthalene-2,7-disulfonate Formula: C10H6Na2O10S3 MolecularWeight: 428.32318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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