4-(3-ethenylsulfonylpropylcarbamoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(3-ethenylsulfonylpropylcarbamoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(3-vinylsulfonylpropylcarbamoylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-[[(3-ethenylsulfonylpropylamino)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(3-ethenylsulfonylpropylcarbamoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-(3-vinylsulfonylpropylcarbamoylamino)naphthalene-2,7-disulfonic acid Formula: C16H18N2O10S3 MolecularWeight: 494.51652

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCNC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCCNC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O10S3/c1-2-29(21,22)5-3-4-17-16(20)18-13-8-11(30(23,24)25)6-10-7-12(31(26,27)28)9-14(19)15(10)13/h2,6-9,19H,1,3-5H2,(H2,17,18,20)(H,23,24,25)(H,26,27,28)