Cas no 630391-09-2 (2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]-)

2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]- structure
630391-09-2 structure
Product Name:2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]-
CAS No:630391-09-2
MF:C24H20N4O14S4
MW:716.694001197815
CID:427435
Update Time:2022-09-22

2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]- Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]-
    • Inchi: 1S/C24H20N4O14S4/c1-11-4-6-16(43(31,32)33)15(7-11)26-28-22-19(46(40,41)42)10-13-9-18(45(37,38)39)21(23(29)20(13)24(22)30)27-25-14-5-3-12(2)8-17(14)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
    • InChI Key: HHAYDRCGDCIVTG-UHFFFAOYSA-N
    • SMILES: C1=C2C(C(O)=C(N=NC3=CC(C)=CC=C3S(O)(=O)=O)C(S(O)(=O)=O)=C2)=C(O)C(N=NC2=CC=C(C)C=C2S(O)(=O)=O)=C1S(O)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 8

2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[(4-methyl-2-sulfophenyl)azo]-6-[(5-methyl-2-sulfophenyl)azo]- Related Literature

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