disodium 3-[(3,4-disulfonaphthalen-2-yl)methyl]naphthalene-1,2-disulfonate

Systemtic Name: disodium 3-[(3,4-disulfonaphthalen-2-yl)methyl]naphthalene-1,2-disulfonate Openeye Name: disodium 3-[(3,4-disulfo-2-naphthyl)methyl]naphthalene-1,2-disulfonate CAS Name: disodium 3-[(3,4-disulfo-2-naphthalenyl)methyl]naphthalene-1,2-disulfonate IUPAC Name: disodium 3-[(3,4-disulfonaphthalen-2-yl)methyl]naphthalene-1,2-disulfonate Traditional Name: disodium 3-[(3,4-disulfo-2-naphthyl)methyl]naphthalene-1,2-disulfonate Formula: C21H14Na2O12S4 MolecularWeight: 632.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)CC3=CC4=CC=CC=C4C(=C3S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)CC3=CC4=CC=CC=C4C(=C3S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H16O12S4.2Na/c22-34(23,24)18-14(9-12-5-1-3-7-16(12)20(18)36(28,29)30)11-15-10-13-6-2-4-8-17(13)21(37(31,32)33)19(15)35(25,26)27;;/h1-10H,11H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2