sodium 4-(3-methyl-6-methylidene-xanthen-9-yl)benzene-1,3-disulfonate

Systemtic Name: sodium 4-(3-methyl-6-methylidene-xanthen-9-yl)benzene-1,3-disulfonate Openeye Name: sodium 4-(3-methyl-6-methylene-xanthen-9-yl)benzene-1,3-disulfonate CAS Name: sodium 4-(3-methyl-6-methylene-9-xanthenyl)benzene-1,3-disulfonate IUPAC Name: sodium 4-(3-methyl-6-methylidenexanthen-9-yl)benzene-1,3-disulfonate Traditional Name: sodium 4-(3-methyl-6-methylene-xanthen-9-yl)benzene-1,3-disulfonate Formula: C21H14NaO7S2- MolecularWeight: 465.45143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C3C=CC(=C)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C3C=CC(=C)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H16O7S2.Na/c1-12-3-6-15-18(9-12)28-19-10-13(2)4-7-16(19)21(15)17-8-5-14(29(22,23)24)11-20(17)30(25,26)27;/h3-11H,1H2,2H3,(H,22,23,24)(H,25,26,27);/q;+1/p-2