dipotassium 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate

Systemtic Name: dipotassium 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate Openeye Name: dipotassium 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate CAS Name: dipotassium 7-[[(4-pentoxyanilino)-sulfanylidenemethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: dipotassium 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate Traditional Name: dipotassium 7-[(4-amoxyphenyl)thiocarbamoylamino]naphthalene-1,3-disulfonate Formula: C22H22K2N2O7S3 MolecularWeight: 600.81088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C22H24N2O7S3.2K/c1-2-3-4-11-31-18-9-7-16(8-10-18)23-22(32)24-17-6-5-15-12-19(33(25,26)27)14-21(20(15)13-17)34(28,29)30;;/h5-10,12-14H,2-4,11H2,1H3,(H2,23,24,32)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2